6-[3,5-bis(trifluoromethyl)phenyl]-7H-purin-2-amine

Systemtic Name: 6-[3,5-bis(trifluoromethyl)phenyl]-7H-purin-2-amine Openeye Name: 6-[3,5-bis(trifluoromethyl)phenyl]-7H-purin-2-amine CAS Name: 6-[3,5-bis(trifluoromethyl)phenyl]-7H-purin-2-amine IUPAC Name: 6-[3,5-bis(trifluoromethyl)phenyl]-7H-purin-2-amine Traditional Name: [6-[3,5-bis(trifluoromethyl)phenyl]-7H-purin-2-yl]amine Formula: C13H7F6N5 MolecularWeight: 347.218599

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=C3C(=NC(=N2)N)N=CN3

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=C3C(=NC(=N2)N)N=CN3

InChI

InChI=1S/C13H7F6N5/c14-12(15,16)6-1-5(2-7(3-6)13(17,18)19)8-9-10(22-4-21-9)24-11(20)23-8/h1-4H,(H3,20,21,22,23,24)