5-cyano-6-(4-methoxyphenyl)-2-[2-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-6-(4-methoxyphenyl)-2-[2-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-cyano-6-(4-methoxyphenyl)-2-[2-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-cyano-6-(4-methoxyphenyl)-2-[[2-[1-methyl-5-(methylcarbamoyl)-3-pyrrolyl]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 5-cyano-6-(4-methoxyphenyl)-2-[2-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-cyano-2-[[2-keto-2-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]ethyl]thio]-6-(4-methoxyphenyl)pyrimidin-4-olate Formula: C21H18N5O4S- MolecularWeight: 436.46372

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CN1C)C(=O)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CNC(=O)C1=CC(=CN1C)C(=O)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H19N5O4S/c1-23-20(29)16-8-13(10-26(16)2)17(27)11-31-21-24-18(15(9-22)19(28)25-21)12-4-6-14(30-3)7-5-12/h4-8,10H,11H2,1-3H3,(H,23,29)(H,24,25,28)/p-1