2-(5-cyano-2-cyclohexyl-4-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)ethanoic acid

Systemtic Name: 2-(5-cyano-2-cyclohexyl-4-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)ethanoic acid Openeye Name: 2-(5-cyano-2-cyclohexyl-4-methylsulfanyl-6-oxo-pyrimidin-1-yl)acetic acid CAS Name: 2-[5-cyano-2-cyclohexyl-4-(methylthio)-6-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-(5-cyano-2-cyclohexyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid Traditional Name: 2-[5-cyano-2-cyclohexyl-6-keto-4-(methylthio)pyrimidin-1-yl]acetic acid Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N(C(=N1)C2CCCCC2)CC(=O)O)C#N

Isomeric SMILES

CSC1=C(C(=O)N(C(=N1)C2CCCCC2)CC(=O)O)C#N

InChI

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