2-azanyl-9-[(1R,2S,3R,4R)-4-(hydroxymethyl)-2-methyl-5-methylidene-2,3-bis(oxidanyl)cyclopentyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1R,2S,3R,4R)-4-(hydroxymethyl)-2-methyl-5-methylidene-2,3-bis(oxidanyl)cyclopentyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methyl-5-methylene-cyclopentyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methyl-5-methylenecyclopentyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methyl-5-methylidenecyclopentyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1R,2S,3R,4R)-2,3-dihydroxy-2-methyl-5-methylene-4-methylol-cyclopentyl]-3H-purin-6-one Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(=C)C1N2C=NC3=C2NC(=NC3=O)N)CO)O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O4/c1-5-6(3-19)9(20)13(2,22)8(5)18-4-15-7-10(18)16-12(14)17-11(7)21/h4,6,8-9,19-20,22H,1,3H2,2H3,(H3,14,16,17,21)/t6-,8+,9+,13-/m0/s1