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

Systemtic Name: 4-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Openeye Name: 4-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[2-(2-pyridyl)ethyl]benzamide CAS Name: 4-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-[2-(2-pyridinyl)ethyl]benzamide IUPAC Name: 4-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Traditional Name: 4-[[(4-ethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-[2-(2-pyridyl)ethyl]benzamide Formula: C25H29N5OS MolecularWeight: 447.59566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=N3)N4CCCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=N3)N4CCCC4

InChI

InChI=1S/C25H29N5OS/c1-2-21-17-23(30-15-5-6-16-30)29-25(28-21)32-18-19-8-10-20(11-9-19)24(31)27-14-12-22-7-3-4-13-26-22/h3-4,7-11,13,17H,2,5-6,12,14-16,18H2,1H3,(H,27,31)