3-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(phenylmethyl)benzamide

Systemtic Name: 3-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: 3-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-benzyl-3-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzamide Formula: C23H23ClN4OS MolecularWeight: 438.97292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H23ClN4OS/c24-20-14-21(28-11-4-5-12-28)27-23(26-20)30-16-18-9-6-10-19(13-18)22(29)25-15-17-7-2-1-3-8-17/h1-3,6-10,13-14H,4-5,11-12,15-16H2,(H,25,29)