[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl ethanoate

Systemtic Name: [3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl ethanoate Openeye Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl acetate CAS Name: acetic acid [3-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl ester IUPAC Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl acetate Traditional Name: acetic acid [3-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-cyclobutyl]methyl ester Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC(C1CO)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC(=O)OCC1CC(C1CO)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C13H17N5O4/c1-6(20)22-4-7-2-9(8(7)3-19)18-5-15-10-11(18)16-13(14)17-12(10)21/h5,7-9,19H,2-4H2,1H3,(H3,14,16,17,21)