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

Systemtic Name: 2-[2-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-6-(4-methoxyphenyl)pyrimidin-4-olate Openeye Name: 2-[2-(5-carbamoyl-1-methyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-5-cyano-6-(4-methoxyphenyl)pyrimidin-4-olate CAS Name: 2-[[2-(5-carbamoyl-1-methyl-3-pyrrolyl)-2-oxoethyl]thio]-5-cyano-6-(4-methoxyphenyl)-4-pyrimidinolate IUPAC Name: 2-[2-(5-carbamoyl-1-methylpyrrol-3-yl)-2-oxoethyl]sulfanyl-5-cyano-6-(4-methoxyphenyl)pyrimidin-4-olate Traditional Name: 2-[[2-(5-carbamoyl-1-methyl-pyrrol-3-yl)-2-keto-ethyl]thio]-5-cyano-6-(4-methoxyphenyl)pyrimidin-4-olate Formula: C20H16N5O4S- MolecularWeight: 422.43714

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)C(=O)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C=C(C=C1C(=O)N)C(=O)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H17N5O4S/c1-25-9-12(7-15(25)18(22)27)16(26)10-30-20-23-17(14(8-21)19(28)24-20)11-3-5-13(29-2)6-4-11/h3-7,9H,10H2,1-2H3,(H2,22,27)(H,23,24,28)/p-1