70280607
  -OEChem-04252415102D

 56 59  0     0  0  0  0  0  0999 V2000
    2.8680   -0.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.6923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -4.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.1682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.6682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1007    4.1627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9097    2.7614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -2.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0788    4.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3575    4.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5788    3.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -4.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.9864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    2.3228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -1.5218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -1.5218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -3.1418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    2.9782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3310    4.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7724    5.2926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8968    5.2467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9427    4.3711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.6788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.4486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -0.3974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    2.6899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    3.3123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    2.6947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1954    3.4398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460   -4.3318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.9518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860   -4.3318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541   -5.3688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -5.1418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5741   -4.2949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 28  1  0  0  0  0
  2 16  1  0  0  0  0
  2 29  1  0  0  0  0
  3 20  1  0  0  0  0
  3 31  1  0  0  0  0
  4 21  1  0  0  0  0
  4 32  1  0  0  0  0
  5 10  2  0  0  0  0
  5 17  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  2  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 25  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  2  0  0  0  0
 17 23  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 22  2  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  2  3  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  0  0  0  0
 26 30  2  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
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 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
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 32 55  1  0  0  0  0
 32 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70280607

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
623

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAACx/AAAHgAAAAAADAzBnwY/1vcMFACgAzZnZACCiC0xMqAJ2CA+/JiNbqLE+duUNCpuwBvK6Cew0PMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[2-(1-methylimidazol-2-yl)vinyl]quinazoline

> <PUBCHEM_IUPAC_CAS_NAME>
4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[2-(1-methyl-2-imidazolyl)ethenyl]quinazoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[2-(1-methylimidazol-2-yl)ethenyl]quinazoline

> <PUBCHEM_IUPAC_NAME>
4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[2-(1-methylimidazol-2-yl)ethenyl]quinazoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[2-(1-methylimidazol-2-yl)ethenyl]quinazoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[2-(1-methylimidazol-2-yl)vinyl]quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H24N4O4/c1-28-11-10-25-23(28)9-8-22-26-17-14-21(32-5)20(31-4)13-16(17)24(27-22)15-6-7-18(29-2)19(12-15)30-3/h6-14H,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
NAAPSVINOJBHLX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
432.17975526

> <PUBCHEM_MOLECULAR_FORMULA>
C24H24N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
432.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C=CN=C1C=CC2=NC3=CC(=C(C=C3C(=N2)C4=CC(=C(C=C4)OC)OC)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C=CN=C1C=CC2=NC3=CC(=C(C=C3C(=N2)C4=CC(=C(C=C4)OC)OC)OC)OC

> <PUBCHEM_CACTVS_TPSA>
80.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
432.17975526

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  14  8
12  18  8
12  19  8
13  15  8
14  16  8
15  16  8
18  20  8
19  22  8
20  21  8
21  22  8
23  24  1
26  30  8
5  10  8
5  17  8
6  11  8
6  17  8
7  25  8
7  26  8
8  25  8
8  30  8
9  10  8
9  11  8
9  13  8

$$$$