methyl 2-(5-cyano-2-cyclohexyl-4-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)ethanoate

Systemtic Name: methyl 2-(5-cyano-2-cyclohexyl-4-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)ethanoate Openeye Name: methyl 2-(5-cyano-2-cyclohexyl-4-methylsulfanyl-6-oxo-pyrimidin-1-yl)acetate CAS Name: 2-[5-cyano-2-cyclohexyl-4-(methylthio)-6-oxo-1-pyrimidinyl]acetic acid methyl ester IUPAC Name: methyl 2-(5-cyano-2-cyclohexyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetate Traditional Name: 2-[5-cyano-2-cyclohexyl-6-keto-4-(methylthio)pyrimidin-1-yl]acetic acid methyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=NC(=C(C1=O)C#N)SC)C2CCCCC2

Isomeric SMILES

COC(=O)CN1C(=NC(=C(C1=O)C#N)SC)C2CCCCC2

InChI

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