6-[[4-(trifluoromethyl)phenyl]methoxy]-7H-purin-2-amine

Systemtic Name: 6-[[4-(trifluoromethyl)phenyl]methoxy]-7H-purin-2-amine Openeye Name: 6-[[4-(trifluoromethyl)phenyl]methoxy]-7H-purin-2-amine CAS Name: 6-[[4-(trifluoromethyl)phenyl]methoxy]-7H-purin-2-amine IUPAC Name: 6-[[4-(trifluoromethyl)phenyl]methoxy]-7H-purin-2-amine Traditional Name: [6-[4-(trifluoromethyl)benzyl]oxy-7H-purin-2-yl]amine Formula: C13H10F3N5O MolecularWeight: 309.24661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=NC(=NC3=C2NC=N3)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1COC2=NC(=NC3=C2NC=N3)N)C(F)(F)F

InChI

InChI=1S/C13H10F3N5O/c14-13(15,16)8-3-1-7(2-4-8)5-22-11-9-10(19-6-18-9)20-12(17)21-11/h1-4,6H,5H2,(H3,17,18,19,20,21)