N6,N6-dimethyl-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)purine-6,8-diamine

Systemtic Name: N6,N6-dimethyl-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)purine-6,8-diamine Openeye Name: N6,N6-dimethyl-9-(p-tolylmethyl)-2-(trifluoromethyl)purine-6,8-diamine CAS Name: N6,N6-dimethyl-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)purine-6,8-diamine IUPAC Name: 6-N,6-N-dimethyl-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)purine-6,8-diamine Traditional Name: [8-amino-9-(4-methylbenzyl)-2-(trifluoromethyl)purin-6-yl]-dimethyl-amine Formula: C16H17F3N6 MolecularWeight: 350.34159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C(F)(F)F)N(C)C)N=C2N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C(F)(F)F)N(C)C)N=C2N

InChI

InChI=1S/C16H17F3N6/c1-9-4-6-10(7-5-9)8-25-13-11(21-15(25)20)12(24(2)3)22-14(23-13)16(17,18)19/h4-7H,8H2,1-3H3,(H2,20,21)