3-[[4-methyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 3-[[4-methyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-[[4-methyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(3-pyridylmethyl)benzamide CAS Name: 3-[[[4-methyl-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-[[4-methyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 3-[[[4-methyl-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]-N-(3-pyridylmethyl)benzamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=NC(=NC(=C1)C)SCC2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CCCN(C)C1=NC(=NC(=C1)C)SCC2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C23H27N5OS/c1-4-11-28(3)21-12-17(2)26-23(27-21)30-16-18-7-5-9-20(13-18)22(29)25-15-19-8-6-10-24-14-19/h5-10,12-14H,4,11,15-16H2,1-3H3,(H,25,29)