N-(2,5-dimethylphenyl)-2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-(6-oxo-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[6-oxo-2-(phenethylthio)-4-phenyl-1-pyrimidinyl]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-(6-oxo-2-phenethylsulfanyl-4-phenylpyrimidin-1-yl)acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[6-keto-2-(phenethylthio)-4-phenyl-pyrimidin-1-yl]acetamide Formula: C28H27N3O2S MolecularWeight: 469.59788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O2S/c1-20-13-14-21(2)24(17-20)29-26(32)19-31-27(33)18-25(23-11-7-4-8-12-23)30-28(31)34-16-15-22-9-5-3-6-10-22/h3-14,17-18H,15-16,19H2,1-2H3,(H,29,32)