N-[4-[[5-cyano-6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-[4-[[5-cyano-6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[4-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[4-[[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[4-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[4-[[[5-cyano-4-keto-6-(3-methoxyphenyl)-1H-pyrimidin-2-yl]thio]methyl]phenyl]isonipecotamide Formula: C27H27N5O4S MolecularWeight: 517.59938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)CSC3=NC(=O)C(=C(N3)C4=CC(=CC=C4)OC)C#N

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)CSC3=NC(=O)C(=C(N3)C4=CC(=CC=C4)OC)C#N

InChI

InChI=1S/C27H27N5O4S/c1-17(33)32-12-10-19(11-13-32)25(34)29-21-8-6-18(7-9-21)16-37-27-30-24(23(15-28)26(35)31-27)20-4-3-5-22(14-20)36-2/h3-9,14,19H,10-13,16H2,1-2H3,(H,29,34)(H,30,31,35)