3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide

Systemtic Name: 3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: 3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-isobutyl-benzamide CAS Name: 3-[[[4-tert-butyl-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: 3-[[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]-N-isobutyl-benzamide Formula: C22H32N4OS MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N(C)C)C(C)(C)C

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N(C)C)C(C)(C)C

InChI

InChI=1S/C22H32N4OS/c1-15(2)13-23-20(27)17-10-8-9-16(11-17)14-28-21-24-18(22(3,4)5)12-19(25-21)26(6)7/h8-12,15H,13-14H2,1-7H3,(H,23,27)