9-methyl-2-[4-(trifluoromethyl)phenyl]-7H-purin-8-one

Systemtic Name: 9-methyl-2-[4-(trifluoromethyl)phenyl]-7H-purin-8-one Openeye Name: 9-methyl-2-[4-(trifluoromethyl)phenyl]-7H-purin-8-one CAS Name: 9-methyl-2-[4-(trifluoromethyl)phenyl]-7H-purin-8-one IUPAC Name: 9-methyl-2-[4-(trifluoromethyl)phenyl]-7H-purin-8-one Traditional Name: 9-methyl-2-[4-(trifluoromethyl)phenyl]-7H-purin-8-one Formula: C13H9F3N4O MolecularWeight: 294.23197

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2NC1=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CN1C2=NC(=NC=C2NC1=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C13H9F3N4O/c1-20-11-9(18-12(20)21)6-17-10(19-11)7-2-4-8(5-3-7)13(14,15)16/h2-6H,1H3,(H,18,21)