70698659
  -OEChem-05102419002D

 30 32  0     0  0  0  0  0  0999 V2000
    4.3958   -2.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.2846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.2846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798    1.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2778    1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799    1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1719    0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -1.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    0.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2740    2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479    1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2729   -2.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393    1.5607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7052   -0.0940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -1.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910    0.6094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8940    2.7870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2716    3.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6540    2.7822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3558    1.2224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5860    2.0684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7399    2.2986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6836   -2.3473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0803   -3.1292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8623   -2.7325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 14  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 20  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 19  1  0  0  0  0
 13 17  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70698659

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
333

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFixwAAAHgAQAAAADAiBngQ30JfMEACoAyVzdACCgC03EqAB2AG4dMiIaHrA2bGUIYholALIyWcQgIAOiAAAQAAQACAQAACAACAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,7,8-trimethyl-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
3,7,8-trimethyl-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,7,8-trimethyl-5<I>H</I>-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_NAME>
3,7,8-trimethyl-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,7,8-trimethyl-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,7,8-trimethyl-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H13N3O/c1-7-4-10-11(5-8(7)2)16-6-14-9(3)12(16)13(17)15-10/h4-6H,1-3H3,(H,15,17)

> <PUBCHEM_IUPAC_INCHIKEY>
DOIBIUQAYBEFLW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
227.105862047

> <PUBCHEM_MOLECULAR_FORMULA>
C13H13N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
227.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C=C1C)N3C=NC(=C3C(=O)N2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C=C1C)N3C=NC(=C3C(=O)N2)C

> <PUBCHEM_CACTVS_TPSA>
46.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
227.105862047

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  11  8
2  14  8
2  5  8
2  7  8
3  12  8
3  6  8
4  13  8
4  14  8
5  6  8
5  8  8
6  11  8
7  12  8
7  13  8
8  9  8
9  10  8

$$$$