cyclopentyl 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: cyclopentyl 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: cyclopentyl 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid cyclopentyl ester IUPAC Name: cyclopentyl 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]acetic acid cyclopentyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC(=O)OC2CCCC2)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC(=O)OC2CCCC2)C#N

InChI

InChI=1S/C14H17N3O3S/c1-2-11-10(7-15)13(19)17-14(16-11)21-8-12(18)20-9-5-3-4-6-9/h9H,2-6,8H2,1H3,(H,16,17,19)