65822
  -OEChem-05102422222D

 39 41  0     0  0  0  0  0  0999 V2000
    2.8660   -0.7010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939    1.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.5057    0.0000 N   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    0.7990    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
    5.4641   -0.2010    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
    6.4103    1.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029    1.6931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    2.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    2.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8039   -0.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3739   -1.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -1.7010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -1.7010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6139   -1.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1839   -2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8039   -2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 19  1  0  0  0  0
  2 15  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5  9  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 15  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 32  1  0  0  0  0
 18 21  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65822

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
397

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgAAAAAADAzBngY/lJcMHACoA7R3ZACCiC03MqAJ2CG8fNiMbnrE/fuUNahugBrI6ecYiICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(6-ethyl-7-methoxy-5-methyl-imidazo[1,2-a]pyrimidin-2-yl)-phenyl-methanone

> <PUBCHEM_IUPAC_CAS_NAME>
(6-ethyl-7-methoxy-5-methyl-2-imidazo[1,2-a]pyrimidinyl)-phenylmethanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

> <PUBCHEM_IUPAC_NAME>
(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(6-ethyl-7-methoxy-5-methyl-imidazo[1,2-a]pyrimidin-2-yl)-phenyl-methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6-ethyl-7-methoxy-5-methyl-imidazo[1,2-a]pyrimidin-2-yl)-phenyl-methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H17N3O2/c1-4-13-11(2)20-10-14(18-17(20)19-16(13)22-3)15(21)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
NRJVHCSYLGLURI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
295.132076794

> <PUBCHEM_MOLECULAR_FORMULA>
C17H17N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
295.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=C(N2C=C(N=C2N=C1OC)C(=O)C3=CC=CC=C3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=C(N2C=C(N=C2N=C1OC)C(=O)C3=CC=CC=C3)C

> <PUBCHEM_CACTVS_TPSA>
56.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
295.132076794

> <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>
11  12  8
16  17  8
16  18  8
17  20  8
18  21  8
20  22  8
21  22  8
3  11  8
3  6  8
3  9  8
4  10  8
4  9  8
5  12  8
5  9  8
6  7  8
7  10  8

$$$$