10660994
  -OEChem-04252417182D

 34 37  0     0  0  0  0  0  0999 V2000
    5.4641    1.8683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -0.2195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4225    0.0127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8036   -1.7466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4630   -2.9027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -1.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -0.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7736    0.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4131   -1.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7830   -1.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0707   -0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3926   -1.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1254   -0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5889    0.6046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6115   -2.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4648   -0.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9795   -2.2090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7314   -0.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.1783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8726   -3.3683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8552   -3.0246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.5583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.9883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.1783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  9  1  0  0  0  0
  3 17  2  0  0  0  0
  4 13  2  0  0  0  0
  4 17  1  0  0  0  0
  5 13  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 23  1  0  0  0  0
 11 15  2  0  0  0  0
 11 24  1  0  0  0  0
 12 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 27  1  0  0  0  0
 18 20  1  0  0  0  0
 18 28  1  0  0  0  0
 19 21  2  0  0  0  0
 19 29  1  0  0  0  0
 20 22  2  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10660994

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
423

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB/gAAHgAQAAAADAzBngQ98PdMGACoA7Z3ZACCgC03EqAJ2CG4dNiIaPrA3fGUJYhogALIyecYicCeAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4-aminopyrimido[5,4-a]indolizin-10-yl)-phenyl-methanone

> <PUBCHEM_IUPAC_CAS_NAME>
(4-amino-10-pyrimido[5,4-a]indolizinyl)-phenylmethanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4-aminopyrimido[5,4-a]indolizin-10-yl)-phenylmethanone

> <PUBCHEM_IUPAC_NAME>
(4-aminopyrimido[5,4-a]indolizin-10-yl)-phenylmethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4-azanylpyrimido[5,4-a]indolizin-10-yl)-phenyl-methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4-aminopyrimid[5,4-a]indolizin-10-yl)-phenyl-methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H12N4O/c18-17-13-12-8-4-5-9-21(12)15(14(13)19-10-20-17)16(22)11-6-2-1-3-7-11/h1-10H,(H2,18,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
JVDMGYJOJAHWDN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
288.10111102

> <PUBCHEM_MOLECULAR_FORMULA>
C17H12N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
288.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(=O)C2=C3C(=C4N2C=CC=C4)C(=NC=N3)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(=O)C2=C3C(=C4N2C=CC=C4)C(=NC=N3)N

> <PUBCHEM_CACTVS_TPSA>
73.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
288.10111102

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  14  8
11  15  8
14  15  8
16  18  8
16  19  8
18  20  8
19  21  8
2  10  8
2  6  8
2  7  8
20  22  8
21  22  8
3  17  8
3  9  8
4  13  8
4  17  8
6  11  8
6  8  8
7  9  8
8  13  8
8  9  8

$$$$