N6-[3-(trifluoromethyl)phenyl]-7H-purine-2,6-diamine

Systemtic Name: N6-[3-(trifluoromethyl)phenyl]-7H-purine-2,6-diamine Openeye Name: N6-[3-(trifluoromethyl)phenyl]-7H-purine-2,6-diamine CAS Name: N6-[3-(trifluoromethyl)phenyl]-7H-purine-2,6-diamine IUPAC Name: 6-N-[3-(trifluoromethyl)phenyl]-7H-purine-2,6-diamine Traditional Name: (2-amino-7H-purin-6-yl)-[3-(trifluoromethyl)phenyl]amine Formula: C12H9F3N6 MolecularWeight: 294.23527

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=NC3=C2NC=N3)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=NC3=C2NC=N3)N)C(F)(F)F

InChI

InChI=1S/C12H9F3N6/c13-12(14,15)6-2-1-3-7(4-6)19-10-8-9(18-5-17-8)20-11(16)21-10/h1-5H,(H4,16,17,18,19,20,21)