N-(4-chlorophenyl)-9-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]purin-6-amine

Systemtic Name: N-(4-chlorophenyl)-9-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]purin-6-amine Openeye Name: N-(4-chlorophenyl)-9-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]purin-6-amine CAS Name: N-(4-chlorophenyl)-9-methyl-2-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-6-purinamine IUPAC Name: N-(4-chlorophenyl)-9-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]purin-6-amine Traditional Name: (4-chlorophenyl)-[9-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]purin-6-yl]amine Formula: C17H13ClF3N7 MolecularWeight: 407.78023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(C(=N2)NC4=CC=C(C=C4)Cl)N=CN3C)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(C(=N2)NC4=CC=C(C=C4)Cl)N=CN3C)C(F)(F)F

InChI

InChI=1S/C17H13ClF3N7/c1-9-7-12(17(19,20)21)26-28(9)16-24-14(13-15(25-16)27(2)8-22-13)23-11-5-3-10(18)4-6-11/h3-8H,1-2H3,(H,23,24,25)