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

Systemtic Name: [(1R,4S)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl propanoate Openeye Name: [(1R,4S)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid [(1R,4S)-4-(2-amino-6-keto-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl ester Formula: C14H17N5O3 MolecularWeight: 303.31648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O3/c1-2-10(20)22-6-8-3-4-9(5-8)19-7-16-11-12(19)17-14(15)18-13(11)21/h3-4,7-9H,2,5-6H2,1H3,(H3,15,17,18,21)/t8-,9+/m0/s1