9-methyl-N-[4-(trifluoromethyloxy)phenyl]purin-6-amine

Systemtic Name: 9-methyl-N-[4-(trifluoromethyloxy)phenyl]purin-6-amine Openeye Name: 9-methyl-N-[4-(trifluoromethoxy)phenyl]purin-6-amine CAS Name: 9-methyl-N-[4-(trifluoromethoxy)phenyl]-6-purinamine IUPAC Name: 9-methyl-N-[4-(trifluoromethoxy)phenyl]purin-6-amine Traditional Name: (9-methylpurin-6-yl)-[4-(trifluoromethoxy)phenyl]amine Formula: C13H10F3N5O MolecularWeight: 309.24661

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=CN=C2NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CN1C=NC2=C1N=CN=C2NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C13H10F3N5O/c1-21-7-19-10-11(17-6-18-12(10)21)20-8-2-4-9(5-3-8)22-13(14,15)16/h2-7H,1H3,(H,17,18,20)