N-[[2,3,4-tris(fluoranyl)phenyl]methyl]-7H-purin-6-amine

Systemtic Name: N-[[2,3,4-tris(fluoranyl)phenyl]methyl]-7H-purin-6-amine Openeye Name: N-[(2,3,4-trifluorophenyl)methyl]-7H-purin-6-amine CAS Name: N-[(2,3,4-trifluorophenyl)methyl]-7H-purin-6-amine IUPAC Name: N-[(2,3,4-trifluorophenyl)methyl]-7H-purin-6-amine Traditional Name: 7H-purin-6-yl-(2,3,4-trifluorobenzyl)amine Formula: C12H8F3N5 MolecularWeight: 279.22063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CNC2=NC=NC3=C2NC=N3)F)F)F

Isomeric SMILES

C1=CC(=C(C(=C1CNC2=NC=NC3=C2NC=N3)F)F)F

InChI

InChI=1S/C12H8F3N5/c13-7-2-1-6(8(14)9(7)15)3-16-11-10-12(18-4-17-10)20-5-19-11/h1-2,4-5H,3H2,(H2,16,17,18,19,20)