3-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide

Systemtic Name: 3-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Openeye Name: 3-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-[2-(2-pyridyl)ethyl]benzamide CAS Name: 3-[[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]thio]methyl]-N-[2-(2-pyridinyl)ethyl]benzamide IUPAC Name: 3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Traditional Name: 3-[[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]thio]methyl]-N-[2-(2-pyridyl)ethyl]benzamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=N3)N(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=N3)N(C)C

InChI

InChI=1S/C22H25N5OS/c1-16-13-20(27(2)3)26-22(25-16)29-15-17-7-6-8-18(14-17)21(28)24-12-10-19-9-4-5-11-23-19/h4-9,11,13-14H,10,12,15H2,1-3H3,(H,24,28)