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

Systemtic Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(2-phenoxyethyl)ethanamide Openeye Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide CAS Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-(2-phenoxyethyl)acetamide IUPAC Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide Traditional Name: 2-[[5-cyano-4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]thio]-N-(2-phenoxyethyl)acetamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NCCOC3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NCCOC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H20N4O4S/c1-29-16-9-7-15(8-10-16)20-18(13-23)21(28)26-22(25-20)31-14-19(27)24-11-12-30-17-5-3-2-4-6-17/h2-10H,11-12,14H2,1H3,(H,24,27)(H,25,26,28)