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

Systemtic Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[[5-cyano-4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]thio]-N-(4-fluorobenzyl)acetamide Formula: C21H17FN4O3S MolecularWeight: 424.448083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NCC3=CC=C(C=C3)F)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NCC3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C21H17FN4O3S/c1-29-16-8-4-14(5-9-16)19-17(10-23)20(28)26-21(25-19)30-12-18(27)24-11-13-2-6-15(22)7-3-13/h2-9H,11-12H2,1H3,(H,24,27)(H,25,26,28)