2998076
  -OEChem-05092401252D

 48 50  0     1  0  0  0  0  0999 V2000
    6.1859   -1.3569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.9910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3229    2.3595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0559    4.5867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2891    0.4032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9071    0.4032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0171    1.9994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5559    3.7206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5479    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5981   -0.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6470   -0.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    0.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8582    0.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0661    1.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250    2.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1386    3.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0340    4.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7772    5.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6994    0.5948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4554   -0.2672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0574   -1.0485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8386   -1.4466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9444    0.0982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4778    0.6905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.7379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.7379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.3579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4779    1.5845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.5109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.7379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.5848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -5.5848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.3579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -4.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6755    3.0742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1921    4.5871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2379    5.4628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3623    5.5086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 15  2  0  0  0  0
  3 19  1  0  0  0  0
  3 24  1  0  0  0  0
  4 21  1  0  0  0  0
  4 25  1  0  0  0  0
  5 22  2  0  0  0  0
  6 10  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  7 29  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 38  1  0  0  0  0
 10 23  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 16 22  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  1  0  0  0  0
 17 35  1  0  0  0  0
 18 20  2  0  0  0  0
 18 36  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 23 26  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2998076

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
631

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAAAAABwAAAHgAUAAAADIzBmgYztpPQBACpAqNycgCCCAAlIgApmCG+7NqNZjrEvbuUMKpu1zvK6Ee43PPOoAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-N-(5-methylisoxazol-3-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxo-1-imidazolidinyl]-N-(5-methyl-3-isoxazolyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-<I>N</I>-(5-methyl-1,2-oxazol-3-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[4-(3,4-dimethoxyphenyl)-2,5-diketo-4-methyl-imidazolidin-1-yl]-N-(5-methylisoxazol-3-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H20N4O6/c1-10-7-14(21-28-10)19-15(23)9-22-16(24)18(2,20-17(22)25)11-5-6-12(26-3)13(8-11)27-4/h5-8H,9H2,1-4H3,(H,20,25)(H,19,21,23)

> <PUBCHEM_IUPAC_INCHIKEY>
MSMKPEFVNDZCRN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
388.13828437

> <PUBCHEM_MOLECULAR_FORMULA>
C18H20N4O6

> <PUBCHEM_MOLECULAR_WEIGHT>
388.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=NO1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC(=C(C=C3)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=NO1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC(=C(C=C3)OC)OC

> <PUBCHEM_CACTVS_TPSA>
123

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
388.13828437

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
10  23  8
11  14  3
13  17  8
13  18  8
17  19  8
18  20  8
19  21  8
20  21  8
23  26  8
26  27  8
6  10  8
6  27  8

$$$$