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

Systemtic Name: 4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(4-pyridylmethyl)benzamide CAS Name: 4-[[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]thio]methyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 4-[[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]thio]methyl]-N-(4-pyridylmethyl)benzamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)N(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)N(C)C

InChI

InChI=1S/C21H23N5OS/c1-15-12-19(26(2)3)25-21(24-15)28-14-17-4-6-18(7-5-17)20(27)23-13-16-8-10-22-11-9-16/h4-12H,13-14H2,1-3H3,(H,23,27)