71421534
  -OEChem-04262408522D

 41 43  0     0  0  0  0  0  0999 V2000
    5.4804   -2.2844    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.7849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.7706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    0.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9904    1.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7224    1.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8544    2.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2598    1.3944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8646   -0.3356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1325   -0.3423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4522    2.0890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2581    2.0998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8521    2.9044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2863   -0.2471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1323   -0.0169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9021    0.8292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -2.2498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -2.2498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    1.7502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    1.7502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 23  1  0  0  0  0
  3 11  1  0  0  0  0
  3 24  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  2  0  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 18  2  3  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 16 22  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 21  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  2  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71421534

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
434

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgIAAAAADA6BnyIz1vYIFACgAyZiZACCiCkhJqAJmCA27piNLqLF+9uENCpuwBvK6Cew0FMOIEADAgACQABAgAYEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-chloro-6,7-dimethoxy-2-[2-(m-tolyl)vinyl]quinazoline

> <PUBCHEM_IUPAC_CAS_NAME>
4-chloro-6,7-dimethoxy-2-[2-(3-methylphenyl)ethenyl]quinazoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-chloro-6,7-dimethoxy-2-[2-(3-methylphenyl)ethenyl]quinazoline

> <PUBCHEM_IUPAC_NAME>
4-chloro-6,7-dimethoxy-2-[2-(3-methylphenyl)ethenyl]quinazoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-chloranyl-6,7-dimethoxy-2-[2-(3-methylphenyl)ethenyl]quinazoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-chloro-6,7-dimethoxy-2-[2-(m-tolyl)vinyl]quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H17ClN2O2/c1-12-5-4-6-13(9-12)7-8-18-21-15-11-17(24-3)16(23-2)10-14(15)19(20)22-18/h4-11H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
WJTRRZIBDLYUIZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
340.0978555

> <PUBCHEM_MOLECULAR_FORMULA>
C19H17ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
340.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=CC=C1)C=CC2=NC3=CC(=C(C=C3C(=N2)Cl)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=CC=C1)C=CC2=NC3=CC(=C(C=C3C(=N2)Cl)OC)OC

> <PUBCHEM_CACTVS_TPSA>
44.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
340.0978555

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
10  11  8
14  17  8
14  19  8
15  18  1
16  17  8
16  20  8
19  21  8
20  21  8
4  13  8
4  7  8
5  12  8
5  13  8
6  12  8
6  7  8
6  8  8
7  10  8
8  9  8
9  11  8

$$$$