8-azanyl-2-[2-methoxy-5-(trifluoromethyl)phenyl]purin-6-one

Systemtic Name: 8-azanyl-2-[2-methoxy-5-(trifluoromethyl)phenyl]purin-6-one Openeye Name: 8-amino-2-[2-methoxy-5-(trifluoromethyl)phenyl]purin-6-one CAS Name: 8-amino-2-[2-methoxy-5-(trifluoromethyl)phenyl]-6-purinone IUPAC Name: 8-amino-2-[2-methoxy-5-(trifluoromethyl)phenyl]purin-6-one Traditional Name: 8-amino-2-[2-methoxy-5-(trifluoromethyl)phenyl]purin-6-one Formula: C13H8F3N5O2 MolecularWeight: 323.23013

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(F)(F)F)C2=NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(F)(F)F)C2=NC(=O)C3=NC(=NC3=N2)N

InChI

InChI=1S/C13H8F3N5O2/c1-23-7-3-2-5(13(14,15)16)4-6(7)9-19-10-8(11(22)20-9)18-12(17)21-10/h2-4H,1H3,(H2,17,19,20,21,22)