4-pyrimidin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)butanamide

Systemtic Name: 4-pyrimidin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)butanamide Openeye Name: 4-pyrimidin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)butanamide CAS Name: 4-(2-pyrimidinylthio)-N-(2,4,6-trimethylphenyl)butanamide IUPAC Name: 4-pyrimidin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)butanamide Traditional Name: N-mesityl-4-(2-pyrimidylthio)butyramide Formula: C17H21N3OS MolecularWeight: 315.43314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CCCSC2=NC=CC=N2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCCSC2=NC=CC=N2)C

InChI

InChI=1S/C17H21N3OS/c1-12-10-13(2)16(14(3)11-12)20-15(21)6-4-9-22-17-18-7-5-8-19-17/h5,7-8,10-11H,4,6,9H2,1-3H3,(H,20,21)