N-(3,5-dimethylphenyl)-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide

Systemtic Name: N-(3,5-dimethylphenyl)-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(3,5-dimethylphenyl)propanamide CAS Name: N-(3,5-dimethylphenyl)-3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(3,5-dimethylphenyl)propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(3,5-dimethylphenyl)propionamide Formula: C23H25N3O2S MolecularWeight: 407.5285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C)C

InChI

InChI=1S/C23H25N3O2S/c1-15-11-16(2)13-19(12-15)25-21(27)10-9-20-17(3)24-23(26-22(20)28)29-14-18-7-5-4-6-8-18/h4-8,11-13H,9-10,14H2,1-3H3,(H,25,27)(H,24,26,28)