71030030
  -OEChem-05092404572D

 40 41  0     1  0  0  0  0  0999 V2000
    2.8680   -0.8812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.1671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.1429    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3981    1.1429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.3571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.8571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5976    0.1680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3947    0.1680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2607    1.6179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4636    1.6179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7501    2.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.7629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5101    2.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.5117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.7976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4182    0.1060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    0.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0382    1.1799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -2.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8611   -2.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.1536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.0766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -0.9227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    2.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    2.7871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    2.1695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 19  1  0  0  0  0
  2 17  1  0  0  0  0
  2 20  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4  9  2  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 18  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71030030

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
305

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzsAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAQAAAADAzBngYz9vdIFACgAyZiZACCiCkhIqABmCA+7JiNLqLE+NuENCpuwBtK6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,7-dimethoxy-N2-methyl-N2-propyl-quinazoline-2,4-diamine

> <PUBCHEM_IUPAC_CAS_NAME>
6,7-dimethoxy-N2-methyl-N2-propylquinazoline-2,4-diamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,7-dimethoxy-2-<I>N</I>-methyl-2-<I>N</I>-propylquinazoline-2,4-diamine

> <PUBCHEM_IUPAC_NAME>
6,7-dimethoxy-2-N-methyl-2-N-propylquinazoline-2,4-diamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,7-dimethoxy-N2-methyl-N2-propyl-quinazoline-2,4-diamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-propyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H20N4O2/c1-5-6-18(2)14-16-10-8-12(20-4)11(19-3)7-9(10)13(15)17-14/h7-8H,5-6H2,1-4H3,(H2,15,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
LHUMEJMEKVYMKR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
276.15862589

> <PUBCHEM_MOLECULAR_FORMULA>
C14H20N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
276.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN(C)C1=NC2=CC(=C(C=C2C(=N1)N)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN(C)C1=NC2=CC(=C(C=C2C(=N1)N)OC)OC

> <PUBCHEM_CACTVS_TPSA>
73.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
276.15862589

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  11  8
10  12  8
10  14  8
11  15  8
14  16  8
15  17  8
16  17  8
4  11  8
4  9  8
5  12  8
5  9  8

$$$$