60365667
  -OEChem-05042417282D

 59 61  0     1  0  0  0  0  0999 V2000
    4.6660   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5321   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    4.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9121   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1521   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9760   -1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3560   -2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3252   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2422   -5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4822   -5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0382   -4.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4182   -2.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.3454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    4.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    3.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 25  2  0  0  0  0
  3 27  2  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 33  1  0  0  0  0
  5 18  1  0  0  0  0
  5 21  1  0  0  0  0
  5 25  1  0  0  0  0
  6 25  1  0  0  0  0
  6 27  1  0  0  0  0
  6 56  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 19  1  0  0  0  0
 12 40  1  0  0  0  0
 13 20  2  0  0  0  0
 13 41  1  0  0  0  0
 14 17  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 24  1  0  0  0  0
 21 26  2  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  2  0  0  0  0
 26 29  1  0  0  0  0
 26 55  1  0  0  0  0
 28 30  1  0  0  0  0
 28 57  1  0  0  0  0
 29 30  2  0  0  0  0
 29 58  1  0  0  0  0
 30 59  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60365667

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
625

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHgAQAAAADSjBmAQzwIPAAACIAiVSUACCAAAlAgAIiIEIZMiIIDrA1ZGEIYholyLIyecYiMCOwAAAAAACAACAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-isopropylphenyl)-2-methyl-propyl]propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-(2,4-dioxo-1-quinazolinyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(2,4-dioxoquinazolin-1-yl)-<I>N</I>-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide

> <PUBCHEM_IUPAC_NAME>
3-(2,4-dioxoquinazolin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[2,4-bis(oxidanylidene)quinazolin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2,4-diketoquinazolin-1-yl)-N-(2-methyl-1-p-cumenyl-propyl)propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H29N3O3/c1-15(2)17-9-11-18(12-10-17)22(16(3)4)25-21(28)13-14-27-20-8-6-5-7-19(20)23(29)26-24(27)30/h5-12,15-16,22H,13-14H2,1-4H3,(H,25,28)(H,26,29,30)

> <PUBCHEM_IUPAC_INCHIKEY>
MXTKXOLCIWEMDU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
407.22089180

> <PUBCHEM_MOLECULAR_FORMULA>
C24H29N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
407.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C1=CC=C(C=C1)C(C(C)C)NC(=O)CCN2C3=CC=CC=C3C(=O)NC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)C1=CC=C(C=C1)C(C(C)C)NC(=O)CCN2C3=CC=CC=C3C(=O)NC2=O

> <PUBCHEM_CACTVS_TPSA>
78.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
407.22089180

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  19  8
13  20  8
14  19  8
14  20  8
21  24  8
21  26  8
24  27  8
24  28  8
26  29  8
28  30  8
29  30  8
5  21  8
5  25  8
6  25  8
6  27  8
7  8  3
9  12  8
9  13  8

$$$$