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

Systemtic Name: 2-azanyl-9-[(1R,3S,4R)-4-(hydroxymethyl)-3-oxidanyl-cyclohexyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1R,3S,4R)-3-hydroxy-4-methylol-cyclohexyl]-3H-purin-6-one Formula: C12H17N5O3 MolecularWeight: 279.29508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O3/c13-12-15-10-9(11(20)16-12)14-5-17(10)7-2-1-6(4-18)8(19)3-7/h5-8,18-19H,1-4H2,(H3,13,15,16,20)/t6-,7-,8+/m1/s1