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

Systemtic Name: 4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: 4-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-isobutyl-benzamide CAS Name: 4-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 4-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: 4-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-isobutyl-benzamide Formula: C20H25ClN4OS MolecularWeight: 404.9567

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCCC3

Isomeric SMILES

CC(C)CNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCCC3

InChI

InChI=1S/C20H25ClN4OS/c1-14(2)12-22-19(26)16-7-5-15(6-8-16)13-27-20-23-17(21)11-18(24-20)25-9-3-4-10-25/h5-8,11,14H,3-4,9-10,12-13H2,1-2H3,(H,22,26)