68981589
  -OEChem-06191306122D

 62 65  0     0  0  0  0  0  0999 V2000
    2.8660    3.4863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    0.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    2.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    0.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8564    3.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7205   -1.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7205    4.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -3.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.5113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.5113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    3.3786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    4.0689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    2.5939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.9036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3335    4.4612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -0.1684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    3.1409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.8237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2462   -0.4279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6421   -1.1197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6421    4.0922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2462    3.4004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4084   -1.5770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2562   -1.3533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0326   -0.5055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0326    3.4780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2562    4.3258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4084    4.5495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.8237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.8237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.4768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.5507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 20  1  0  0  0  0
  2 23  1  0  0  0  0
  3 21  1  0  0  0  0
  3 24  1  0  0  0  0
  4 22  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 14  2  0  0  0  0
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  7 14  1  0  0  0  0
  7 17  2  0  0  0  0
  8 17  1  0  0  0  0
  8 22  1  0  0  0  0
  8 44  1  0  0  0  0
  9 22  1  0  0  0  0
  9 25  1  0  0  0  0
  9 49  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
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 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 18 20  1  0  0  0  0
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 29 33  1  0  0  0  0
 30 32  1  0  0  0  0
 30 57  1  0  0  0  0
 31 32  2  0  0  0  0
 31 58  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
68981589

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
620

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgAQAAAADAzhngYz9vfIFACoAyZidACCiCkhIqAJmCA+7JiPLqLE+duHPCru1Rva6Cew0BMOIEABQgACQABAgAKEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(6,7-diethoxy-2-morpholino-quinazolin-4-yl)-3-(m-tolyl)urea

> <PUBCHEM_IUPAC_CAS_NAME>
1-[6,7-diethoxy-2-(4-morpholinyl)-4-quinazolinyl]-3-(3-methylphenyl)urea

> <PUBCHEM_IUPAC_NAME>
1-(6,7-diethoxy-2-morpholin-4-ylquinazolin-4-yl)-3-(3-methylphenyl)urea

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(6,7-diethoxy-2-morpholin-4-yl-quinazolin-4-yl)-3-(3-methylphenyl)urea

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(6,7-diethoxy-2-morpholino-quinazolin-4-yl)-3-(m-tolyl)urea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H29N5O4/c1-4-32-20-14-18-19(15-21(20)33-5-2)26-23(29-9-11-31-12-10-29)27-22(18)28-24(30)25-17-8-6-7-16(3)13-17/h6-8,13-15H,4-5,9-12H2,1-3H3,(H2,25,26,27,28,30)

> <PUBCHEM_IUPAC_INCHIKEY>
XWZJKXHODHWWHW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
451.221954

> <PUBCHEM_MOLECULAR_FORMULA>
C24H29N5O4

> <PUBCHEM_MOLECULAR_WEIGHT>
451.51816

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCOCC3)NC(=O)NC4=CC=CC(=C4)C)OCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCOCC3)NC(=O)NC4=CC=CC(=C4)C)OCC

> <PUBCHEM_CACTVS_TPSA>
97.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
451.221954

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
15  16  8
15  17  8
15  18  8
16  19  8
18  20  8
19  21  8
20  21  8
25  28  8
25  30  8
28  29  8
29  31  8
30  32  8
31  32  8
6  14  8
6  16  8
7  14  8
7  17  8

$$$$