4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-pyridylmethyl)benzamide CAS Name: 4-[[[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-[[(4-methyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(2-pyridylmethyl)benzamide Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)N4CCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)N4CCCC4

InChI

InChI=1S/C23H25N5OS/c1-17-14-21(28-12-4-5-13-28)27-23(26-17)30-16-18-7-9-19(10-8-18)22(29)25-15-20-6-2-3-11-24-20/h2-3,6-11,14H,4-5,12-13,15-16H2,1H3,(H,25,29)