N-butyl-4-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-butyl-4-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-butyl-benzamide CAS Name: N-butyl-4-[[[4-chloro-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: 4-[[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-butylbenzamide Traditional Name: 4-[[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]-N-butyl-benzamide Formula: C24H27ClN4OS MolecularWeight: 455.01538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C24H27ClN4OS/c1-3-4-14-26-23(30)20-12-10-19(11-13-20)17-31-24-27-21(25)15-22(28-24)29(2)16-18-8-6-5-7-9-18/h5-13,15H,3-4,14,16-17H2,1-2H3,(H,26,30)