4-[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 4-[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[[[4-(dimethylamino)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]-N-(3-pyridylmethyl)benzamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N(C)C)SCC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)C

Isomeric SMILES

CC1=C(N=C(N=C1N(C)C)SCC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)C

InChI

InChI=1S/C22H25N5OS/c1-15-16(2)25-22(26-20(15)27(3)4)29-14-17-7-9-19(10-8-17)21(28)24-13-18-6-5-11-23-12-18/h5-12H,13-14H2,1-4H3,(H,24,28)