69002997
  -OEChem-05112406422D

 48 51  0     0  0  0  0  0  0999 V2000
    3.7320   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -0.2097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2010    1.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -1.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -2.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 28  1  0  0  0  0
  2 25  1  0  0  0  0
  2 29  1  0  0  0  0
  3 27  2  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  5 31  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 16  1  0  0  0  0
  8 27  1  0  0  0  0
  8 47  1  0  0  0  0
  8 48  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 23  1  0  0  0  0
 17 34  1  0  0  0  0
 18 24  2  0  0  0  0
 18 35  1  0  0  0  0
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 26  2  0  0  0  0
 20 37  1  0  0  0  0
 21 25  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 27  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 26 40  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69002997

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
556

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADAzBnwY/9p/MHACoAzd3dACCiC01MqAJ2CE+/NiNbvLEvZuUMSpu0BvK6ae42MOOQEAAAgAAQACAgAAEAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-[8-(3,4-dimethoxyanilino)-6-imidazo[1,2-a]pyrazinyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide

> <PUBCHEM_IUPAC_NAME>
4-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H19N5O3/c1-28-17-8-7-15(11-18(17)29-2)24-20-21-23-9-10-26(21)12-16(25-20)13-3-5-14(6-4-13)19(22)27/h3-12H,1-2H3,(H2,22,27)(H,24,25)

> <PUBCHEM_IUPAC_INCHIKEY>
WEXVCVLQLNOQME-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
389.14878949

> <PUBCHEM_MOLECULAR_FORMULA>
C21H19N5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
389.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)NC2=NC(=CN3C2=NC=C3)C4=CC=C(C=C4)C(=O)N)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)NC2=NC(=CN3C2=NC=C3)C4=CC=C(C=C4)C(=O)N)OC

> <PUBCHEM_CACTVS_TPSA>
104

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
389.14878949

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
11  12  8
13  17  8
13  18  8
14  19  8
14  20  8
15  16  8
17  23  8
18  24  8
19  21  8
20  26  8
21  25  8
22  23  8
22  24  8
25  26  8
4  12  8
4  15  8
4  9  8
6  10  8
6  11  8
7  16  8
7  9  8
9  10  8

$$$$