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

Systemtic Name: 4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(1-phenylethyl)benzamide Openeye Name: 4-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(1-phenylethyl)benzamide CAS Name: 4-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(1-phenylethyl)benzamide IUPAC Name: 4-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(1-phenylethyl)benzamide Traditional Name: 4-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(1-phenylethyl)benzamide Formula: C24H25ClN4OS MolecularWeight: 452.9995

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

InChI

InChI=1S/C24H25ClN4OS/c1-17(19-7-3-2-4-8-19)26-23(30)20-11-9-18(10-12-20)16-31-24-27-21(25)15-22(28-24)29-13-5-6-14-29/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3,(H,26,30)