1307006
  -OEChem-05251323432D

 47 50  0     0  0  0  0  0  0999 V2000
    6.3981    2.5258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.5088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.4742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.0258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.4983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6497   -1.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8475   -2.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4654   -2.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1675   -3.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1674   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    1.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580    1.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   -0.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641    1.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641    0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0077    3.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0940   -1.2337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5313   -1.5726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2841   -2.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0347   -2.3328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7692   -1.5467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5626   -3.1892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2394   -3.6691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1098   -3.6590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7753   -3.1636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    2.1804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3298   -0.1904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1509    2.1804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1509   -1.1288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5998   -0.3071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4099    2.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2403    1.0142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4639    1.8620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6161    2.0857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3198    3.5890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4720    3.3654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6956    2.5176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 20  2  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  1  0  0  0  0
  4 19  2  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 21  1  0  0  0  0
  6 14  2  0  0  0  0
  6 37  1  0  0  0  0
  7 20  1  0  0  0  0
  7 26  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 36  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 24  2  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 40  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 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1307006

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
868

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAYAAAAAgQIAAAAAAAACAAAAAHgAQAAAADCjBgAQDAAPAAACoAiN2dACAAAGgAAAJCIE4AFiIAAoAyQAEAAAABgKIgcIQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-cyclopentyl-2-imino-N,8-dimethyl-5-oxo-dipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
1-cyclopentyl-2-imino-N,8-dimethyl-5-oxo-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarboxamide

> <PUBCHEM_IUPAC_NAME>
1-cyclopentyl-2-imino-N,8-dimethyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanylidene-1-cyclopentyl-N,8-dimethyl-5-oxidanylidene-dipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-cyclopentyl-2-imino-5-keto-N,8-dimethyl-dipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H21N5O2/c1-11-7-8-15-22-17-14(19(26)23(15)10-11)9-13(18(25)21-2)16(20)24(17)12-5-3-4-6-12/h7-10,12,20H,3-6H2,1-2H3,(H,21,25)

> <PUBCHEM_IUPAC_INCHIKEY>
GCKYYSVIEVAOPS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.7

> <PUBCHEM_EXACT_MASS>
351.169525

> <PUBCHEM_MOLECULAR_FORMULA>
C19H21N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
351.40234

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)C(=O)NC)C=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)C(=O)NC)C=C1

> <PUBCHEM_CACTVS_TPSA>
88.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
351.169525

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  15  8
14  16  8
15  17  8
15  18  8
16  17  8
19  22  8
21  23  8
22  24  8
23  24  8
3  13  8
3  14  8
4  13  8
4  19  8
5  18  8
5  19  8
5  21  8

$$$$