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

Systemtic Name: 2-azanyl-9-[(3S,5R)-4-(hydroxymethyl)-3,5-bis(oxidanyl)cyclohexyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(3S,5R)-3,5-dihydroxy-4-(hydroxymethyl)cyclohexyl]-3H-purin-6-one CAS Name: 2-amino-9-[(3S,5R)-3,5-dihydroxy-4-(hydroxymethyl)cyclohexyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(3S,5R)-3,5-dihydroxy-4-(hydroxymethyl)cyclohexyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(3S,5R)-3,5-dihydroxy-4-methylol-cyclohexyl]-3H-purin-6-one Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(C(C1O)CO)O)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1[C@H](C([C@H](CC1N2C=NC3=C2NC(=NC3=O)N)O)CO)O

InChI

InChI=1S/C12H17N5O4/c13-12-15-10-9(11(21)16-12)14-4-17(10)5-1-7(19)6(3-18)8(20)2-5/h4-8,18-20H,1-3H2,(H3,13,15,16,21)/t5?,6?,7-,8+