24749598
  -OEChem-04182422272D

 31 33  0     0  0  0  0  0  0999 V2000
    3.8000   -0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    3.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.1071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.7729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 15  2  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  3 23  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  4 26  1  0  0  0  0
  5  8  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 21  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 20  2  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24749598

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
427

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQAAAADAiBmAAxwILAAACoAyVyVACCAAAhAgAIiAEgZJiIILLAlZGEIAhglALIyCcciICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-oxo-N-phenyl-1H-quinazoline-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-oxo-N-phenyl-1H-quinazoline-4-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-oxo-<I>N</I>-phenyl-1<I>H</I>-quinazoline-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-oxo-N-phenyl-1H-quinazoline-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-oxidanylidene-N-phenyl-1H-quinazoline-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-keto-N-phenyl-1H-quinazoline-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H11N3O2/c19-14(16-10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)17-15(20)18-13/h1-9H,(H,16,19)(H,17,18,20)

> <PUBCHEM_IUPAC_INCHIKEY>
IBKXBRUBWALIOJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
265.085126602

> <PUBCHEM_MOLECULAR_FORMULA>
C15H11N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
265.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)NC(=O)C2=NC(=O)NC3=CC=CC=C32

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)NC(=O)C2=NC(=O)NC3=CC=CC=C32

> <PUBCHEM_CACTVS_TPSA>
70.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
265.085126602

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
10  13  8
12  13  8
14  16  8
14  17  8
16  18  8
17  19  8
18  20  8
19  20  8
3  15  8
3  7  8
5  15  8
5  8  8
6  7  8
6  8  8
6  9  8
7  10  8
9  12  8

$$$$