N6,N6,N8-trimethyl-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)purine-6,8-diamine

Systemtic Name: N6,N6,N8-trimethyl-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)purine-6,8-diamine Openeye Name: N6,N6,N8-trimethyl-9-(p-tolylmethyl)-2-(trifluoromethyl)purine-6,8-diamine CAS Name: N6,N6,N8-trimethyl-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)purine-6,8-diamine IUPAC Name: 6-N,6-N,8-N-trimethyl-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)purine-6,8-diamine Traditional Name: dimethyl-[8-(methylamino)-9-(4-methylbenzyl)-2-(trifluoromethyl)purin-6-yl]amine Formula: C17H19F3N6 MolecularWeight: 364.36817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C(F)(F)F)N(C)C)N=C2NC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C(F)(F)F)N(C)C)N=C2NC

InChI

InChI=1S/C17H19F3N6/c1-10-5-7-11(8-6-10)9-26-14-12(22-16(26)21-2)13(25(3)4)23-15(24-14)17(18,19)20/h5-8H,9H2,1-4H3,(H,21,22)