2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diphenyl-butanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diphenyl-butanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diphenyl-butanamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N,N-diphenylbutanamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diphenylbutanamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N,N-diphenyl-butyramide Formula: C22H23N3OS MolecularWeight: 377.50252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H23N3OS/c1-4-20(27-22-23-16(2)15-17(3)24-22)21(26)25(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,20H,4H2,1-3H3