59248796
  -OEChem-04242404332D

 34 36  0     0  0  0  0  0  0999 V2000
    8.0785   -2.7246    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    0.3447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.2108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -1.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    0.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3100    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -2.6900    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -2.6900    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  2  0  0  0  0
  5 14  2  0  0  0  0
  5 19  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 20  2  0  0  0  0
 17 28  1  0  0  0  0
 18 20  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  ISO  3  32   2  33   2  34   2
M  END
> <PUBCHEM_COMPOUND_CID>
59248796

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
325

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgIAAAAADA6hniY31vYIFACgAyRjZACCiCkxJqAJ2CA+7piNLqLF+9uGPCruwBtK6Cew0DMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-benzyloxy-4-chloro-6-(trideuteriomethoxy)quinazoline

> <PUBCHEM_IUPAC_CAS_NAME>
4-chloro-7-phenylmethoxy-6-(trideuteriomethoxy)quinazoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-chloro-7-phenylmethoxy-6-(trideuteriomethoxy)quinazoline

> <PUBCHEM_IUPAC_NAME>
4-chloro-7-phenylmethoxy-6-(trideuteriomethoxy)quinazoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-chloranyl-7-phenylmethoxy-6-(trideuteriomethoxy)quinazoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-benzoxy-4-chloro-6-(trideuteriomethoxy)quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13ClN2O2/c1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3/i1D3

> <PUBCHEM_IUPAC_INCHIKEY>
LBGIYCBNJBHZSZ-FIBGUPNXSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
303.0853856

> <PUBCHEM_MOLECULAR_FORMULA>
C16H13ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
303.76

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C(=NC=N2)Cl)OCC3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
[2H]C([2H])([2H])OC1=C(C=C2C(=C1)C(=NC=N2)Cl)OCC3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
44.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
303.0853856

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
3

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

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

$$$$