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

Systemtic Name: 4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-pyridylmethyl)benzamide CAS Name: 4-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(2-pyridylmethyl)benzamide Formula: C22H22ClN5OS MolecularWeight: 439.96098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4)Cl

InChI

InChI=1S/C22H22ClN5OS/c23-19-13-20(28-11-3-4-12-28)27-22(26-19)30-15-16-6-8-17(9-7-16)21(29)25-14-18-5-1-2-10-24-18/h1-2,5-10,13H,3-4,11-12,14-15H2,(H,25,29)