N-butyl-3-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-butyl-3-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-butyl-benzamide CAS Name: N-butyl-3-[[[4-chloro-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: 3-[[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-butylbenzamide Traditional Name: 3-[[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]-N-butyl-benzamide Formula: C24H27ClN4OS MolecularWeight: 455.01538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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