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

Systemtic Name: 3-[[4-[methyl(propyl)amino]-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 3-[[4-isopropyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(4-pyridylmethyl)benzamide CAS Name: 3-[[[4-[methyl(propyl)amino]-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 3-[[4-[methyl(propyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 3-[[[4-isopropyl-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]-N-(4-pyridylmethyl)benzamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5OS/c1-5-13-30(4)23-15-22(18(2)3)28-25(29-23)32-17-20-7-6-8-21(14-20)24(31)27-16-19-9-11-26-12-10-19/h6-12,14-15,18H,5,13,16-17H2,1-4H3,(H,27,31)