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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCCC3

Isomeric SMILES

CCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCCC3

InChI

InChI=1S/C21H27ClN4OS/c1-2-3-4-10-23-20(27)17-9-7-8-16(13-17)15-28-21-24-18(22)14-19(25-21)26-11-5-6-12-26/h7-9,13-14H,2-6,10-12,15H2,1H3,(H,23,27)