4-[2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]-N,1-dimethyl-pyrrole-2-carboxamide

Systemtic Name: 4-[2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]-N,1-dimethyl-pyrrole-2-carboxamide Openeye Name: 4-[2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]-N,1-dimethyl-pyrrole-2-carboxamide CAS Name: 4-[2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]-N,1-dimethyl-2-pyrrolecarboxamide IUPAC Name: 4-[2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]-N,1-dimethylpyrrole-2-carboxamide Traditional Name: 4-[2-[[5-cyano-4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]thio]acetyl]-N,1-dimethyl-pyrrole-2-carboxamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)