2-azanyl-9-[(1R,3S,4S)-3,4-bis(hydroxymethyl)cyclohexyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1R,3S,4S)-3,4-bis(hydroxymethyl)cyclohexyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1R,3S,4S)-3,4-bis(hydroxymethyl)cyclohexyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1R,3S,4S)-3,4-bis(hydroxymethyl)cyclohexyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1R,3S,4S)-3,4-bis(hydroxymethyl)cyclohexyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1R,3S,4S)-3,4-dimethylolcyclohexyl]-3H-purin-6-one Formula: C13H19N5O3 MolecularWeight: 293.32166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1N2C=NC3=C2NC(=NC3=O)N)CO)CO

Isomeric SMILES

C1C[C@@H]([C@H](C[C@@H]1N2C=NC3=C2NC(=NC3=O)N)CO)CO

InChI

InChI=1S/C13H19N5O3/c14-13-16-11-10(12(21)17-13)15-6-18(11)9-2-1-7(4-19)8(3-9)5-20/h6-9,19-20H,1-5H2,(H3,14,16,17,21)/t7-,8-,9-/m1/s1