71764
  -OEChem-05122423152D

 57 58  0     1  0  0  0  0  0999 V2000
    6.4743    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.9689    6.8219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9984    4.3274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061    3.8032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061    5.8515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1324    5.8274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6682    5.8274    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.9362    5.8274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8022    4.3274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9362    2.8274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8644    5.8274    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.7779    5.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4471    6.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9471    7.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9984    5.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2663    5.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4003    5.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5343    5.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8022    5.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6682    6.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0702    4.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0702    5.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9362    3.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1762    3.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1762    5.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2702    4.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2702    5.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    4.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4099    6.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3444    6.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4679    4.8837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2795    5.0562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8619    5.7030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9487    6.5282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5135    7.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7555    7.6194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8678    4.8524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648    4.8524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7988    6.3023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0018    6.3023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1324    6.4474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1358    4.8524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9328    4.8524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2882    6.8274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6682    7.4474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0482    6.8274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1834    3.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1834    6.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4731    2.5174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3993    2.5174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8461    4.8380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2302    3.7617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0299    6.8491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4123    7.4715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7899    6.8539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4743    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 57  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  2  0  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 27  1  0  0  0  0
  5 29  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 41  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 19  2  0  0  0  0
  8 22  1  0  0  0  0
  9 19  1  0  0  0  0
  9 23  2  0  0  0  0
 10 23  1  0  0  0  0
 10 49  1  0  0  0  0
 10 50  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 47  1  0  0  0  0
 25 27  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  2  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71764

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
511

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAEAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAACx8AAAHgAQAAAADBzhngYz9vfIFACoAydydAKCiCkhIqABmKF+7JiPLrLE+N+HNCpu1hva6Ce41BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]propyl]tetrahydrofuran-2-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-[(4-amino-6,7-dimethoxy-2-quinazolinyl)-methylamino]propyl]-2-oxolanecarboxamide;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_NAME>
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-[(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]propyl]oxolane-2-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]propyl]tetrahydrofuran-2-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H27N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);1H

> <PUBCHEM_IUPAC_INCHIKEY>
YTNKWDJILNVLGX-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
425.1829821

> <PUBCHEM_MOLECULAR_FORMULA>
C19H28ClN5O4

> <PUBCHEM_MOLECULAR_WEIGHT>
425.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC.Cl

> <PUBCHEM_CACTVS_TPSA>
112

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
425.1829821

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  15  3
21  22  8
21  23  8
21  24  8
22  25  8
24  26  8
25  27  8
26  27  8
8  19  8
8  22  8
9  19  8
9  23  8

$$$$