2-(5-cyano-1,2-dimethyl-4-methylsulfanyl-6-oxidanylidene-pyrimidin-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(5-cyano-1,2-dimethyl-4-methylsulfanyl-6-oxidanylidene-pyrimidin-1-ium-1-yl)ethanoic acid Openeye Name: 2-(5-cyano-1,2-dimethyl-4-methylsulfanyl-6-oxo-pyrimidin-1-ium-1-yl)acetic acid CAS Name: 2-[5-cyano-1,2-dimethyl-4-(methylthio)-6-oxo-1-pyrimidin-1-iumyl]acetic acid IUPAC Name: 2-(5-cyano-1,2-dimethyl-4-methylsulfanyl-6-oxopyrimidin-1-ium-1-yl)acetic acid Traditional Name: 2-[5-cyano-6-keto-1,2-dimethyl-4-(methylthio)pyrimidin-1-ium-1-yl]acetic acid Formula: C10H12N3O3S+ MolecularWeight: 254.28558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)[N+]1(C)CC(=O)O)C#N)SC

Isomeric SMILES

CC1=NC(=C(C(=O)[N+]1(C)CC(=O)O)C#N)SC

InChI

InChI=1S/C10H11N3O3S/c1-6-12-9(17-3)7(4-11)10(16)13(6,2)5-8(14)15/h5H2,1-3H3/p+1