N-(2,5-dimethylphenyl)-2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(2,5-dimethylphenyl)acetamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O2S/c1-14-9-10-15(2)19(11-14)24-20(26)12-18-16(3)23-22(25-21(18)27)28-13-17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3,(H,24,26)(H,23,25,27)