| CID | 26 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 527 |
| pubchem_cactvs_hbond_acceptor | 9 |
| pubchem_cactvs_hbond_donor | 4 |
| pubchem_cactvs_rotatable_bond | 2 |
| pubchem_cactvs_subskeys | AAADccBzuAAAAAAAAAAAAAAAAAAAAAAAAAAgQAAAAAAAAACAAAAAHgAUCAAACCzhgAYDAALQAgAoAYEwNAQAAAEAAAAhAAG4AACAUB4AyAAUQAAEMQKAAACWAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 1-(2-amino-7,8-dihydroxy-4-oxo-3,4a,7,8a-tetrahydropteridin-6-yl)propane-1,2-dione |
| pubchem_iupac_cas_name | 1-(2-amino-7,8-dihydroxy-4-oxo-3,4a,7,8a-tetrahydropteridin-6-yl)propane-1,2-dione |
| pubchem_iupac_systematic_name | 1-(2-azanyl-7,8-dihydroxy-4-oxo-3,4a,7,8a-tetrahydropteridin-6-yl)propane-1,2-dione |
| pubchem_iupac_traditional_name | 1-(2-amino-7,8-dihydroxy-4-keto-3,4a,7,8a-tetrahydropteridin-6-yl)propane-1,2-dione |
| pubchem_nist_inchi | InChI=1S/C9H11N5O5/c1-2(15)5(16)3-8(18)14(19)6-4(11-3)7(17)13-9(10)12-6/h4,6,8,18-19H,1H3,(H3,10,12,13,17) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 269.076018 |
| pubchem_molecular_formula | C9H11N5O5 |
| pubchem_molecular_weight | 269.21414 |
| pubchem_openeye_can_smiles | CC(=O)C(=O)C1=NC2C(N=C(NC2=O)N)N(C1O)O |
| pubchem_openeye_iso_smiles | CC(=O)C(=O)C1=NC2C(N=C(NC2=O)N)N(C1O)O |
| pubchem_cactvs_tpsa | 158 |
| pubchem_monoisotopic_weight | 269.076018 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 19 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 3 |
| 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 | 36 |
| pubchem_bondannotations | 11 20 3
12 21 3
13 22 3 |
