8-azanyl-2-[3-(trifluoromethyl)phenyl]purin-6-one

Systemtic Name: 8-azanyl-2-[3-(trifluoromethyl)phenyl]purin-6-one Openeye Name: 8-amino-2-[3-(trifluoromethyl)phenyl]purin-6-one CAS Name: 8-amino-2-[3-(trifluoromethyl)phenyl]-6-purinone IUPAC Name: 8-amino-2-[3-(trifluoromethyl)phenyl]purin-6-one Traditional Name: 8-amino-2-[3-(trifluoromethyl)phenyl]purin-6-one Formula: C12H6F3N5O MolecularWeight: 293.20415

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=O)C3=NC(=NC3=N2)N

InChI

InChI=1S/C12H6F3N5O/c13-12(14,15)6-3-1-2-5(4-6)8-18-9-7(10(21)19-8)17-11(16)20-9/h1-4H,(H2,16,18,19,20,21)