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

Systemtic Name: N-butyl-3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-butyl-3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-butyl-3-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-butyl-3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-butyl-3-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C22H31ClN4OS MolecularWeight: 435.02574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN4OS/c1-4-7-11-24-21(28)18-10-8-9-17(14-18)16-29-22-25-19(23)15-20(26-22)27(12-5-2)13-6-3/h8-10,14-15H,4-7,11-13,16H2,1-3H3,(H,24,28)