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

Systemtic Name: 2-(5-cyano-2-methyl-4-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)ethanoic acid Openeye Name: 2-(5-cyano-2-methyl-4-methylsulfanyl-6-oxo-pyrimidin-1-yl)acetic acid CAS Name: 2-[5-cyano-2-methyl-4-(methylthio)-6-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-(5-cyano-2-methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid Traditional Name: 2-[5-cyano-6-keto-2-methyl-4-(methylthio)pyrimidin-1-yl]acetic acid Formula: C9H9N3O3S MolecularWeight: 239.25106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1CC(=O)O)C#N)SC

Isomeric SMILES

CC1=NC(=C(C(=O)N1CC(=O)O)C#N)SC

InChI

InChI=1S/C9H9N3O3S/c1-5-11-8(16-2)6(3-10)9(15)12(5)4-7(13)14/h4H2,1-2H3,(H,13,14)