71721500
  -OEChem-04262422182D

 29 30  0     0  0  0  0  0  0999 V2000
    2.0000    0.7940    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.0107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.2060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    1.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -1.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    2.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344    2.1689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411    1.6366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540    1.1358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4473    1.6681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656   -2.1539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0476   -2.5506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4443   -1.7686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7334    2.5134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3367    3.2953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5548    2.8986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -2.1691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.0160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -3.2429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 12  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  2  0  0  0  0
  5  9  1  0  0  0  0
  5 15  2  0  0  0  0
  6 12  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71721500

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
243

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzoAAEAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHgIIAAAACAiBlgYD1LYIFACiAQRgZASSjC0h8KAR2CA9XJiObiLE+NuVlChuyBtY6CewwCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-7-methoxy-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidine

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-7-methoxy-1-methyl-3-propylpyrazolo[4,3-d]pyrimidine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-7-methoxy-1-methyl-3-propylpyrazolo[4,3-d]pyrimidine

> <PUBCHEM_IUPAC_NAME>
5-chloro-7-methoxy-1-methyl-3-propylpyrazolo[4,3-d]pyrimidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-7-methoxy-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-7-methoxy-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H13ClN4O/c1-4-5-6-7-8(15(2)14-6)9(16-3)13-10(11)12-7/h4-5H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
AGWCMKWOQULETE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
240.0777887

> <PUBCHEM_MOLECULAR_FORMULA>
C10H13ClN4O

> <PUBCHEM_MOLECULAR_WEIGHT>
240.69

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC1=NN(C2=C1N=C(N=C2OC)Cl)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC1=NN(C2=C1N=C(N=C2OC)Cl)C

> <PUBCHEM_CACTVS_TPSA>
52.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
240.0777887

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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  12  8
3  10  8
3  4  8
4  7  8
5  15  8
5  9  8
6  12  8
6  15  8
7  9  8
9  10  8

$$$$