| CID | 7 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 162 |
| pubchem_cactvs_hbond_acceptor | 4 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 1 |
| pubchem_cactvs_subskeys | AAADccBjgAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHAAQAAAACAjBFwQH8L9MEACgAQZhZACAgC0REKABUCAoVBCASABASEAUBAgIAALAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 9-ethylpurin-6-amine |
| pubchem_iupac_cas_name | 9-ethyl-6-purinamine |
| pubchem_iupac_systematic_name | 9-ethylpurin-6-amine |
| pubchem_iupac_traditional_name | (9-ethylpurin-6-yl)amine |
| pubchem_nist_inchi | InChI=1S/C7H9N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4H,2H2,1H3,(H2,8,9,10) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 163.085795 |
| pubchem_molecular_formula | C7H9N5 |
| pubchem_molecular_weight | 163.17986 |
| pubchem_openeye_can_smiles | CCN1C=NC2=C1N=CN=C2N |
| pubchem_openeye_iso_smiles | CCN1C=NC2=C1N=CN=C2N |
| pubchem_cactvs_tpsa | 69.6 |
| pubchem_monoisotopic_weight | 163.085795 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 12 |
| 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 | 3 |
| pubchem_bondannotations | 1 6 8
1 9 8
2 8 8
2 9 8
3 12 8
3 6 8
4 11 8
4 12 8
6 8 8
8 11 8 |
