[(1S,4R)-4-(4-azanyl-2-oxidanylidene-5-thiophen-2-yl-pyrimidin-1-yl)cyclopent-2-en-1-yl]methyl ethanoate

Systemtic Name: [(1S,4R)-4-(4-azanyl-2-oxidanylidene-5-thiophen-2-yl-pyrimidin-1-yl)cyclopent-2-en-1-yl]methyl ethanoate Openeye Name: [(1S,4R)-4-[4-amino-2-oxo-5-(2-thienyl)pyrimidin-1-yl]cyclopent-2-en-1-yl]methyl acetate CAS Name: acetic acid [(1S,4R)-4-(4-amino-2-oxo-5-thiophen-2-yl-1-pyrimidinyl)-1-cyclopent-2-enyl]methyl ester IUPAC Name: [(1S,4R)-4-(4-amino-2-oxo-5-thiophen-2-ylpyrimidin-1-yl)cyclopent-2-en-1-yl]methyl acetate Traditional Name: acetic acid [(1S,4R)-4-[4-amino-2-keto-5-(2-thienyl)pyrimidin-1-yl]cyclopent-2-en-1-yl]methyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC(C=C1)N2C=C(C(=NC2=O)N)C3=CC=CS3

Isomeric SMILES

CC(=O)OC[C@H]1C[C@H](C=C1)N2C=C(C(=NC2=O)N)C3=CC=CS3

InChI

InChI=1S/C16H17N3O3S/c1-10(20)22-9-11-4-5-12(7-11)19-8-13(14-3-2-6-23-14)15(17)18-16(19)21/h2-6,8,11-12H,7,9H2,1H3,(H2,17,18,21)/t11-,12+/m1/s1