70231913
  -OEChem-05072419122D

 47 50  0     1  0  0  0  0  0999 V2000
   10.5920   -2.5490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    3.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.9510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.6830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660    1.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9510    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3660    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -1.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -3.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920   -2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8911    2.2155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8911    1.4185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9030    3.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6760    4.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8291    3.8590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6760    2.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6760    1.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.9290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2010   -1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2010   -3.9431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.1690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 15  2  0  0  0  0
  3 22  2  0  0  0  0
  4 11  1  0  0  0  0
  4 16  2  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 19  1  0  0  0  0
  6 13  2  0  0  0  0
  6 21  1  0  0  0  0
  7 16  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8 18  1  0  0  0  0
  8 22  1  0  0  0  0
  8 43  1  0  0  0  0
  9 23  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 24  1  0  0  0  0
 10 28  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
 12 15  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 17  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  2  0  0  0  0
 25 44  1  0  0  0  0
 26 29  1  0  0  0  0
 26 45  1  0  0  0  0
 27 29  2  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70231913

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
704

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAEAAAAAAAAAAAAAAAAAWAAAAAsWIAAAAAAAFgB+AAAHgIQAAAADIrBliQ/0LfMGACoATV3dACCgCk3B6AJ2CG4ZtiIaPrB3/HUJQholwLIyacciMCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridyl]-6-chloro-pyrrolo[1,2-c]pyrimidine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-6-chloro-3-pyrrolo[1,2-c]pyrimidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(2-amino-1,4-dimethyl-6-oxo-5<I>H</I>-pyrimidin-4-yl)pyridin-4-yl]-6-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)pyridin-4-yl]-6-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(2-azanyl-1,4-dimethyl-6-oxidanylidene-5H-pyrimidin-4-yl)pyridin-4-yl]-6-chloranyl-pyrrolo[1,2-c]pyrimidine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(2-amino-6-keto-1,4-dimethyl-5H-pyrimidin-4-yl)-4-pyridyl]-6-chloro-pyrrolo[1,2-c]pyrimidine-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H18ClN7O2/c1-19(8-16(28)26(2)18(21)25-19)15-6-12(3-4-22-15)24-17(29)14-7-13-5-11(20)9-27(13)10-23-14/h3-7,9-10H,8H2,1-2H3,(H2,21,25)(H,22,24,29)

> <PUBCHEM_IUPAC_INCHIKEY>
YKAAZIXAHRXYCJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
411.1210505

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18ClN7O2

> <PUBCHEM_MOLECULAR_WEIGHT>
411.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CC(=O)N(C(=N1)N)C)C2=NC=CC(=C2)NC(=O)C3=CC4=CC(=CN4C=N3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CC(=O)N(C(=N1)N)C)C2=NC=CC(=C2)NC(=O)C3=CC4=CC(=CN4C=N3)Cl

> <PUBCHEM_CACTVS_TPSA>
118

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
411.1210505

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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  24  8
10  28  8
11  14  3
13  17  8
17  18  8
18  20  8
20  21  8
23  25  8
23  26  8
24  25  8
26  29  8
27  29  8
6  13  8
6  21  8
9  23  8
9  27  8
9  28  8

$$$$