N-(5-acetamido-2-methoxy-phenyl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O4S/c1-14(27)23-16-8-9-19(30-2)18(10-16)25-20(28)11-17-12-21(29)26-22(24-17)31-13-15-6-4-3-5-7-15/h3-10,12H,11,13H2,1-2H3,(H,23,27)(H,25,28)(H,24,26,29)