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

Systemtic Name: 3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide Openeye Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide CAS Name: 3-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]-N-pentylbenzamide IUPAC Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-pentylbenzamide Traditional Name: N-amyl-3-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C23H33ClN4OS MolecularWeight: 449.05232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(CCC)CCC

Isomeric SMILES

CCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(CCC)CCC

InChI

InChI=1S/C23H33ClN4OS/c1-4-7-8-12-25-22(29)19-11-9-10-18(15-19)17-30-23-26-20(24)16-21(27-23)28(13-5-2)14-6-3/h9-11,15-16H,4-8,12-14,17H2,1-3H3,(H,25,29)