2-[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanyl-N-pentyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanyl-N-pentyl-ethanamide Openeye Name: 2-[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanyl-N-pentyl-acetamide CAS Name: 2-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]-N-pentylacetamide IUPAC Name: 2-[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanyl-N-pentylacetamide Traditional Name: N-amyl-2-[[4-chloro-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]acetamide Formula: C22H31ClN4O3S MolecularWeight: 467.02454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N(C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N(C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H31ClN4O3S/c1-5-6-7-11-24-21(28)15-31-22-25-19(23)14-20(26-22)27(2)12-10-16-8-9-17(29-3)18(13-16)30-4/h8-9,13-14H,5-7,10-12,15H2,1-4H3,(H,24,28)