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

Systemtic Name: 2-(5-cyano-4-methylsulfanyl-6-oxidanylidene-2-propan-2-yl-pyrimidin-1-yl)ethanoic acid Openeye Name: 2-(5-cyano-2-isopropyl-4-methylsulfanyl-6-oxo-pyrimidin-1-yl)acetic acid CAS Name: 2-[5-cyano-4-(methylthio)-6-oxo-2-propan-2-yl-1-pyrimidinyl]acetic acid IUPAC Name: 2-(5-cyano-4-methylsulfanyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetic acid Traditional Name: 2-[5-cyano-2-isopropyl-6-keto-4-(methylthio)pyrimidin-1-yl]acetic acid Formula: C11H13N3O3S MolecularWeight: 267.30422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C(=O)N1CC(=O)O)C#N)SC

Isomeric SMILES

CC(C)C1=NC(=C(C(=O)N1CC(=O)O)C#N)SC

InChI

InChI=1S/C11H13N3O3S/c1-6(2)9-13-10(18-3)7(4-12)11(17)14(9)5-8(15)16/h6H,5H2,1-3H3,(H,15,16)