8-[3,5-bis(oxidanyl)phenyl]-1-methyl-3-phenyl-7H-purine-2,6-dione

Systemtic Name: 8-[3,5-bis(oxidanyl)phenyl]-1-methyl-3-phenyl-7H-purine-2,6-dione Openeye Name: 8-(3,5-dihydroxyphenyl)-1-methyl-3-phenyl-7H-purine-2,6-dione CAS Name: 8-(3,5-dihydroxyphenyl)-1-methyl-3-phenyl-7H-purine-2,6-dione IUPAC Name: 8-(3,5-dihydroxyphenyl)-1-methyl-3-phenyl-7H-purine-2,6-dione Traditional Name: 8-(3,5-dihydroxyphenyl)-1-methyl-3-phenyl-7H-purine-2,6-quinone Formula: C18H14N4O4 MolecularWeight: 350.32816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2)C3=CC(=CC(=C3)O)O)N(C1=O)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2)C3=CC(=CC(=C3)O)O)N(C1=O)C4=CC=CC=C4

InChI

InChI=1S/C18H14N4O4/c1-21-17(25)14-16(22(18(21)26)11-5-3-2-4-6-11)20-15(19-14)10-7-12(23)9-13(24)8-10/h2-9,23-24H,1H3,(H,19,20)