N-(5-chloranyl-2-methoxy-phenyl)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[[5-cyano-4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]thio]acetamide Formula: C21H17ClN4O4S MolecularWeight: 456.90208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=C(C=CC(=C3)Cl)OC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=C(C=CC(=C3)Cl)OC)C#N

InChI

InChI=1S/C21H17ClN4O4S/c1-29-14-6-3-12(4-7-14)19-15(10-23)20(28)26-21(25-19)31-11-18(27)24-16-9-13(22)5-8-17(16)30-2/h3-9H,11H2,1-2H3,(H,24,27)(H,25,26,28)