2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]-N-(1-phenylethyl)ethanamide

Systemtic Name: 2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]-N-(1-phenylethyl)ethanamide Openeye Name: 2-(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)-N-(1-phenylethyl)acetamide CAS Name: 2-[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]-N-(1-phenylethyl)acetamide IUPAC Name: 2-(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(1-phenylethyl)acetamide Traditional Name: 2-[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]-N-(1-phenylethyl)acetamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O2S/c1-20(22-13-7-3-8-14-22)28-25(31)18-30-26(32)17-24(23-15-9-4-10-16-23)29-27(30)33-19-21-11-5-2-6-12-21/h2-17,20H,18-19H2,1H3,(H,28,31)