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

Systemtic Name: [(1R,4S)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl pentanoate Openeye Name: [(1R,4S)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl pentanoate CAS Name: pentanoic acid [(1R,4S)-4-(2-amino-6-oxo-3H-purin-9-yl)-1-cyclopent-2-enyl]methyl ester IUPAC Name: [(1R,4S)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl pentanoate Traditional Name: valeric acid [(1R,4S)-4-(2-amino-6-keto-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl ester Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC1CC(C=C1)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CCCCC(=O)OC[C@@H]1C[C@@H](C=C1)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C16H21N5O3/c1-2-3-4-12(22)24-8-10-5-6-11(7-10)21-9-18-13-14(21)19-16(17)20-15(13)23/h5-6,9-11H,2-4,7-8H2,1H3,(H3,17,19,20,23)/t10-,11+/m0/s1