5-cyano-6-(4-dimethylaminophenyl)-2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-6-(4-dimethylaminophenyl)-2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyrimidin-4-olate Openeye Name: 5-cyano-6-(4-dimethylaminophenyl)-2-(2-methoxy-2-oxo-ethyl)sulfanyl-pyrimidin-4-olate CAS Name: 5-cyano-6-(4-dimethylaminophenyl)-2-[(2-methoxy-2-oxoethyl)thio]-4-pyrimidinolate IUPAC Name: 5-cyano-6-(4-dimethylaminophenyl)-2-(2-methoxy-2-oxoethyl)sulfanylpyrimidin-4-olate Traditional Name: 5-cyano-6-(4-dimethylaminophenyl)-2-[(2-keto-2-methoxy-ethyl)thio]pyrimidin-4-olate Formula: C16H15N4O3S- MolecularWeight: 343.3803

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC(=O)OC)[O-])C#N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC(=O)OC)[O-])C#N

InChI

InChI=1S/C16H16N4O3S/c1-20(2)11-6-4-10(5-7-11)14-12(8-17)15(22)19-16(18-14)24-9-13(21)23-3/h4-7H,9H2,1-3H3,(H,18,19,22)/p-1