2-azanyl-9-[4,5-bis(hydroxymethyl)-2-oxidanyl-cyclohexyl]-7,8-dihydro-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[4,5-bis(hydroxymethyl)-2-oxidanyl-cyclohexyl]-7,8-dihydro-3H-purin-6-one Openeye Name: 2-amino-9-[2-hydroxy-4,5-bis(hydroxymethyl)cyclohexyl]-7,8-dihydro-3H-purin-6-one CAS Name: 2-amino-9-[2-hydroxy-4,5-bis(hydroxymethyl)cyclohexyl]-7,8-dihydro-3H-purin-6-one IUPAC Name: 2-amino-9-[2-hydroxy-4,5-bis(hydroxymethyl)cyclohexyl]-7,8-dihydro-3H-purin-6-one Traditional Name: 2-amino-9-(2-hydroxy-4,5-dimethylol-cyclohexyl)-7,8-dihydro-3H-purin-6-one Formula: C13H21N5O4 MolecularWeight: 311.33694

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CC(C1N2CNC3=C2NC(=NC3=O)N)O)CO)CO

Isomeric SMILES

C1C(C(CC(C1N2CNC3=C2NC(=NC3=O)N)O)CO)CO

InChI

InChI=1S/C13H21N5O4/c14-13-16-11-10(12(22)17-13)15-5-18(11)8-1-6(3-19)7(4-20)2-9(8)21/h6-9,15,19-21H,1-5H2,(H3,14,16,17,22)