71166201
  -OEChem-05142407492D

 41 43  0     0  0  0  0  0  0999 V2000
    2.8680   -0.0362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    2.0121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.0121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.4879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    1.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    2.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    3.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9995   -3.4870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7966   -3.4870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215   -2.4044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200   -3.0947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762   -3.0947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747   -2.4044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200   -0.9295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215   -1.6197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747   -1.6197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762   -0.9295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.6667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    2.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.6079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.9986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.7684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -0.0777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    3.0097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    3.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    3.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 20  1  0  0  0  0
  2 19  1  0  0  0  0
  2 21  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  2  0  0  0  0
  4 17  1  0  0  0  0
  5 14  1  0  0  0  0
  5 17  2  0  0  0  0
  6 17  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 18  1  0  0  0  0
 15 32  1  0  0  0  0
 16 19  1  0  0  0  0
 16 33  1  0  0  0  0
 18 19  2  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71166201

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
338

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzsAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx8AAAHgAQAAAADAzBngYz9vdIFACgAyZiZACCiCkhIqABmCA+7JiNLqLE+NuENCpuwBvK6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,7-dimethoxy-4-(1-piperidyl)quinazolin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
6,7-dimethoxy-4-(1-piperidinyl)-2-quinazolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-amine

> <PUBCHEM_IUPAC_NAME>
6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,7-dimethoxy-4-piperidin-1-yl-quinazolin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6,7-dimethoxy-4-piperidino-quinazolin-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H20N4O2/c1-20-12-8-10-11(9-13(12)21-2)17-15(16)18-14(10)19-6-4-3-5-7-19/h8-9H,3-7H2,1-2H3,(H2,16,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
JPWBWPBWLZIYJK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
288.15862589

> <PUBCHEM_MOLECULAR_FORMULA>
C15H20N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
288.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N)N3CCCCC3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N)N3CCCCC3)OC

> <PUBCHEM_CACTVS_TPSA>
73.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
288.15862589

> <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>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  8
13  14  8
13  15  8
14  16  8
15  18  8
16  19  8
18  19  8
4  12  8
4  17  8
5  14  8
5  17  8

$$$$