N-(2,4-dimethylphenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(2,4-dimethylphenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(2,4-dimethylphenyl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(2,4-dimethylphenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(2,4-dimethylphenyl)-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butyramide Formula: C23H25N3OS MolecularWeight: 391.5291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)C)C)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)C)C)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3OS/c1-5-21(23(27)26-19-12-11-15(2)13-16(19)3)28-22-14-20(24-17(4)25-22)18-9-7-6-8-10-18/h6-14,21H,5H2,1-4H3,(H,26,27)