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

Systemtic Name: 3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]phenol Openeye Name: 3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]phenol CAS Name: 3-[6-(methylamino)-2-(trifluoromethyl)-9-purinyl]phenol IUPAC Name: 3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]phenol Traditional Name: 3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]phenol Formula: C13H10F3N5O MolecularWeight: 309.24661

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3=CC(=CC=C3)O)C(F)(F)F

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3=CC(=CC=C3)O)C(F)(F)F

InChI

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