N-(2-ethyl-6-methyl-phenyl)-2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-(6-oxo-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[6-oxo-2-(phenethylthio)-4-phenyl-1-pyrimidinyl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-(6-oxo-2-phenethylsulfanyl-4-phenylpyrimidin-1-yl)acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[6-keto-2-(phenethylthio)-4-phenyl-pyrimidin-1-yl]acetamide Formula: C29H29N3O2S MolecularWeight: 483.62446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C29H29N3O2S/c1-3-23-16-10-11-21(2)28(23)31-26(33)20-32-27(34)19-25(24-14-8-5-9-15-24)30-29(32)35-18-17-22-12-6-4-7-13-22/h4-16,19H,3,17-18,20H2,1-2H3,(H,31,33)