1-[3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]phenyl]ethanone

Systemtic Name: 1-[3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]phenyl]ethanone Openeye Name: 1-[3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]phenyl]ethanone CAS Name: 1-[3-[6-(methylamino)-2-(trifluoromethyl)-9-purinyl]phenyl]ethanone IUPAC Name: 1-[3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]phenyl]ethanone Traditional Name: 1-[3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]phenyl]ethanone Formula: C15H12F3N5O MolecularWeight: 335.28389

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N2C=NC3=C2N=C(N=C3NC)C(F)(F)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N2C=NC3=C2N=C(N=C3NC)C(F)(F)F

InChI

InChI=1S/C15H12F3N5O/c1-8(24)9-4-3-5-10(6-9)23-7-20-11-12(19-2)21-14(15(16,17)18)22-13(11)23/h3-7H,1-2H3,(H,19,21,22)