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

Systemtic Name: 4-[(4-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[(4-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-pyridylmethyl)benzamide CAS Name: 4-[[[4-phenyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-[[(4-phenyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(2-pyridylmethyl)benzamide Formula: C28H27N5OS MolecularWeight: 481.61188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)NCC5=CC=CC=N5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C28H27N5OS/c34-27(30-19-24-10-4-5-15-29-24)23-13-11-21(12-14-23)20-35-28-31-25(22-8-2-1-3-9-22)18-26(32-28)33-16-6-7-17-33/h1-5,8-15,18H,6-7,16-17,19-20H2,(H,30,34)