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

Systemtic Name: 3-[[4-(dimethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: 3-[[4-(dimethylamino)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]-N-isobutyl-benzamide CAS Name: 3-[[[4-(dimethylamino)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 3-[[4-(dimethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: 3-[[[4-(dimethylamino)-6-isopropyl-pyrimidin-2-yl]thio]methyl]-N-isobutyl-benzamide Formula: C21H30N4OS MolecularWeight: 386.5541

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4OS/c1-14(2)12-22-20(26)17-9-7-8-16(10-17)13-27-21-23-18(15(3)4)11-19(24-21)25(5)6/h7-11,14-15H,12-13H2,1-6H3,(H,22,26)