70620723
  -OEChem-05072414592D

 25 27  0     0  0  0  0  0  0999 V2000
    4.9889    0.5686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.3819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.9914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9405    0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4026    1.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9422    1.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917    2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0684    0.2693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5572    0.9397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9425    1.7943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9411    0.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5587    1.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    2.4822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2449    2.7526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4553    2.4976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.1866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  3 12  1  0  0  0  0
  4 10  2  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  2  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70620723

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
203

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzgAAAAAAAAAAAAAAAAAAAAWLAAAAsAAAAAAAAAFgB+AAAHAAIAAAACAjBFwQt8L4IEACgARZnZACQhC0REqAVUCA4dBCASIBAyEAUBAgICALAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
9-pyrrolidin-1-ylpurine

> <PUBCHEM_IUPAC_CAS_NAME>
9-(1-pyrrolidinyl)purine

> <PUBCHEM_IUPAC_NAME_MARKUP>
9-pyrrolidin-1-ylpurine

> <PUBCHEM_IUPAC_NAME>
9-pyrrolidin-1-ylpurine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
9-pyrrolidin-1-ylpurine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
9-pyrrolidinopurine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H11N5/c1-2-4-13(3-1)14-7-12-8-5-10-6-11-9(8)14/h5-7H,1-4H2

> <PUBCHEM_IUPAC_INCHIKEY>
QWQMFKBAKCVCFZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
189.10144537

> <PUBCHEM_MOLECULAR_FORMULA>
C9H11N5

> <PUBCHEM_MOLECULAR_WEIGHT>
189.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCN(C1)N2C=NC3=CN=CN=C32

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCN(C1)N2C=NC3=CN=CN=C32

> <PUBCHEM_CACTVS_TPSA>
46.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
189.10144537

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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
12  13  8
2  10  8
2  11  8
3  11  8
3  12  8
4  10  8
4  14  8
5  13  8
5  14  8

$$$$