[(1S,4R)-4-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl ethanoate

Systemtic Name: [(1S,4R)-4-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl ethanoate Openeye Name: [(1S,4R)-4-(2-acetamido-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl acetate CAS Name: acetic acid [(1S,4R)-4-(2-acetamido-6-oxo-3H-purin-9-yl)-1-cyclopent-2-enyl]methyl ester IUPAC Name: [(1S,4R)-4-(2-acetamido-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl acetate Traditional Name: acetic acid [(1S,4R)-4-(2-acetamido-6-keto-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl ester Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C=C3)COC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]3C[C@@H](C=C3)COC(=O)C

InChI

InChI=1S/C15H17N5O4/c1-8(21)17-15-18-13-12(14(23)19-15)16-7-20(13)11-4-3-10(5-11)6-24-9(2)22/h3-4,7,10-11H,5-6H2,1-2H3,(H2,17,18,19,21,23)/t10-,11+/m1/s1