3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]phenol

Systemtic Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]phenol Openeye Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]phenol CAS Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)-9-purinyl]phenol IUPAC Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]phenol Traditional Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]phenol Formula: C15H12F3N5O MolecularWeight: 335.28389

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3C4=CC(=CC=C4)O)C(F)(F)F

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3C4=CC(=CC=C4)O)C(F)(F)F

InChI

InChI=1S/C15H12F3N5O/c16-15(17,18)14-21-12(20-8-4-5-8)11-13(22-14)23(7-19-11)9-2-1-3-10(24)6-9/h1-3,6-8,24H,4-5H2,(H,20,21,22)