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

Systemtic Name: cyclohexyl 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC(=O)OC2CCCCC2)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC(=O)OC2CCCCC2)C#N

InChI

InChI=1S/C15H19N3O3S/c1-2-12-11(8-16)14(20)18-15(17-12)22-9-13(19)21-10-6-4-3-5-7-10/h10H,2-7,9H2,1H3,(H,17,18,20)