58560913
  -OEChem-05142417432D

 44 47  0     0  0  0  0  0  0999 V2000
   10.5920    0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0920    1.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    0.0057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5920    0.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5920   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -1.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0920    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0920   -1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0920    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0920   -1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5920   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5920    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2010   -2.1931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7820   -2.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4020   -2.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2120   -0.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9020    1.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9020    1.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9020    0.3961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 39  1  0  0  0  0
  2 26  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 13  1  0  0  0  0
  5 18  1  0  0  0  0
  5 32  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  2  0  0  0  0
  7 26  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 29  1  0  0  0  0
 14 17  1  0  0  0  0
 15 30  1  0  0  0  0
 16 19  2  0  0  0  0
 16 31  1  0  0  0  0
 17 20  2  0  0  0  0
 17 26  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 24  1  0  0  0  0
 21 35  1  0  0  0  0
 22 25  2  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 27  1  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
 27 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
58560913

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
525

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQCAAADAzBnwQ/9p/MGgCoAzd3dACCgC01MqAJ2CE8fNiIbvbC3dOUdUhu8BPI2ae4yeCeCAACAAAIAAAQAAQAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-hydroxy-3-[7-(4-methylanilino)imidazo[1,2-c]pyrimidin-2-yl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-hydroxy-3-[7-(4-methylanilino)-2-imidazo[1,2-c]pyrimidinyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-hydroxy-3-[7-(4-methylanilino)imidazo[1,2-c]pyrimidin-2-yl]benzamide

> <PUBCHEM_IUPAC_NAME>
2-hydroxy-3-[7-(4-methylanilino)imidazo[1,2-c]pyrimidin-2-yl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[7-[(4-methylphenyl)amino]imidazo[1,2-c]pyrimidin-2-yl]-2-oxidanyl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-hydroxy-3-[7-(p-toluidino)imidazo[1,2-c]pyrimidin-2-yl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H17N5O2/c1-12-5-7-13(8-6-12)23-17-9-18-24-16(10-25(18)11-22-17)14-3-2-4-15(19(14)26)20(21)27/h2-11,23,26H,1H3,(H2,21,27)

> <PUBCHEM_IUPAC_INCHIKEY>
ZZESZQVCNNNYFD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
359.13822480

> <PUBCHEM_MOLECULAR_FORMULA>
C20H17N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
359.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)NC2=CC3=NC(=CN3C=N2)C4=C(C(=CC=C4)C(=O)N)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)NC2=CC3=NC(=CN3C=N2)C4=C(C(=CC=C4)C(=O)N)O

> <PUBCHEM_CACTVS_TPSA>
106

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
359.13822480

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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
10  16  8
12  13  8
14  17  8
16  19  8
17  20  8
18  21  8
18  22  8
19  20  8
21  24  8
22  25  8
23  24  8
23  25  8
3  11  8
3  15  8
3  9  8
4  8  8
4  9  8
6  13  8
6  15  8
8  11  8
9  12  8

$$$$