4-[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide

Systemtic Name: 4-[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: 4-[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-isobutyl-benzamide CAS Name: 4-[[[4-(diethylamino)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 4-[[4-(diethylamino)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: 4-[[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]-N-isobutyl-benzamide Formula: C22H32N4OS MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1C)C)SCC2=CC=C(C=C2)C(=O)NCC(C)C

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1C)C)SCC2=CC=C(C=C2)C(=O)NCC(C)C

InChI

InChI=1S/C22H32N4OS/c1-7-26(8-2)20-16(5)17(6)24-22(25-20)28-14-18-9-11-19(12-10-18)21(27)23-13-15(3)4/h9-12,15H,7-8,13-14H2,1-6H3,(H,23,27)