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

Systemtic Name: 3-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(3-methylbutyl)benzamide Openeye Name: 3-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-isopentyl-benzamide CAS Name: 3-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(3-methylbutyl)benzamide IUPAC Name: 3-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(3-methylbutyl)benzamide Traditional Name: 3-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-isoamyl-benzamide Formula: C21H27ClN4OS MolecularWeight: 418.98328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4OS/c1-15(2)8-9-23-20(27)17-7-5-6-16(12-17)14-28-21-24-18(22)13-19(25-21)26-10-3-4-11-26/h5-7,12-13,15H,3-4,8-11,14H2,1-2H3,(H,23,27)