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

Systemtic Name: (4-methylcyclohexyl) 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: (4-methylcyclohexyl) 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 (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 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 (4-methylcyclohexyl) ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC(=O)OC2CCC(CC2)C)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC(=O)OC2CCC(CC2)C)C#N

InChI

InChI=1S/C16H21N3O3S/c1-3-13-12(8-17)15(21)19-16(18-13)23-9-14(20)22-11-6-4-10(2)5-7-11/h10-11H,3-7,9H2,1-2H3,(H,18,19,21)