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

Systemtic Name: 9-[4,5-bis(hydroxymethyl)-2-oxidanyl-cyclohexyl]-3H-purin-6-one Openeye Name: 9-[2-hydroxy-4,5-bis(hydroxymethyl)cyclohexyl]-3H-purin-6-one CAS Name: 9-[2-hydroxy-4,5-bis(hydroxymethyl)cyclohexyl]-3H-purin-6-one IUPAC Name: 9-[2-hydroxy-4,5-bis(hydroxymethyl)cyclohexyl]-3H-purin-6-one Traditional Name: 9-(2-hydroxy-4,5-dimethylol-cyclohexyl)-3H-purin-6-one Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CC(C1N2C=NC3=C2NC=NC3=O)O)CO)CO

Isomeric SMILES

C1C(C(CC(C1N2C=NC3=C2NC=NC3=O)O)CO)CO

InChI

InChI=1S/C13H18N4O4/c18-3-7-1-9(10(20)2-8(7)4-19)17-6-16-11-12(17)14-5-15-13(11)21/h5-10,18-20H,1-4H2,(H,14,15,21)