2-azanyl-9-[3-(trifluoromethyl)phenyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[3-(trifluoromethyl)phenyl]-3H-purin-6-one Openeye Name: 2-amino-9-[3-(trifluoromethyl)phenyl]-3H-purin-6-one CAS Name: 2-amino-9-[3-(trifluoromethyl)phenyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3-(trifluoromethyl)phenyl]-3H-purin-6-one Traditional Name: 2-amino-9-[3-(trifluoromethyl)phenyl]-3H-purin-6-one Formula: C12H8F3N5O MolecularWeight: 295.22003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=NC3=C2NC(=NC3=O)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C=NC3=C2NC(=NC3=O)N)C(F)(F)F

InChI

InChI=1S/C12H8F3N5O/c13-12(14,15)6-2-1-3-7(4-6)20-5-17-8-9(20)18-11(16)19-10(8)21/h1-5H,(H3,16,18,19,21)