2-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]sulfanylbenzoate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]sulfanylbenzoate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)sulfanylbenzoate CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)thio]benzoate IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)sulfanylbenzoate Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)thio]benzoate Formula: C13H11N2O4S- MolecularWeight: 291.30244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)SC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)SC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C13H12N2O4S/c1-14-10(16)7-11(15(2)13(14)19)20-9-6-4-3-5-8(9)12(17)18/h3-7H,1-2H3,(H,17,18)/p-1