3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(4-pyridylmethyl)benzamide CAS Name: 3-[[[4,5-dimethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 3-[[(4,5-dimethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(4-pyridylmethyl)benzamide Formula: C24H27N5OS MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=CC(=C3)C(=O)NCC4=CC=NC=C4)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=CC(=C3)C(=O)NCC4=CC=NC=C4)C

InChI

InChI=1S/C24H27N5OS/c1-17-18(2)27-24(28-22(17)29-12-3-4-13-29)31-16-20-6-5-7-21(14-20)23(30)26-15-19-8-10-25-11-9-19/h5-11,14H,3-4,12-13,15-16H2,1-2H3,(H,26,30)