57328589
  -OEChem-05072420332D

 36 38  0     0  0  0  0  0  0999 V2000
    9.8602    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2622   -2.7500    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -1.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    2.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839   -1.7765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062   -2.3941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238   -1.7718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238    2.2718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062    2.8941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839    2.2765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 13  1  0  0  0  0
  2 23  1  0  0  0  0
  3 14  1  0  0  0  0
  3 24  1  0  0  0  0
  4 10  1  0  0  0  0
  4 15  2  0  0  0  0
  5 15  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 27  1  0  0  0  0
 19 21  2  0  0  0  0
 19 28  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
 22 30  1  0  0  0  0
 23 31  1  0  0  0  0
 23 32  1  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  CHG  2   7   1   8  -1
M  END
> <PUBCHEM_COMPOUND_CID>
57328589

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
475

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7sAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgIIAAAADA6BnyIz9vYIFACiAyZiZACCiCkhJ6AJmCA27piNLqLF+9uENCpuwBvK6Cew0BMOIEABIgACQABAgAJEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-azido-2-(3-chlorophenyl)-6,7-dimethoxy-quinazoline

> <PUBCHEM_IUPAC_CAS_NAME>
4-azido-2-(3-chlorophenyl)-6,7-dimethoxyquinazoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-azido-2-(3-chlorophenyl)-6,7-dimethoxyquinazoline

> <PUBCHEM_IUPAC_NAME>
4-azido-2-(3-chlorophenyl)-6,7-dimethoxyquinazoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azido-2-(3-chlorophenyl)-6,7-dimethoxy-quinazoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-azido-2-(3-chlorophenyl)-6,7-dimethoxy-quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H12ClN5O2/c1-23-13-7-11-12(8-14(13)24-2)19-15(20-16(11)21-22-18)9-4-3-5-10(17)6-9/h3-8H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
UAOOQQBDJKETCI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
341.0679523

> <PUBCHEM_MOLECULAR_FORMULA>
C16H12ClN5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
341.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC(=CC=C3)Cl)N=[N+]=[N-])OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC(=CC=C3)Cl)N=[N+]=[N-])OC

> <PUBCHEM_CACTVS_TPSA>
58.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
341.0679523

> <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>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  13  8
12  14  8
13  14  8
17  18  8
17  19  8
18  20  8
19  21  8
20  22  8
21  22  8
4  10  8
4  15  8
5  15  8
5  16  8
9  10  8
9  11  8
9  16  8

$$$$