8-(4-methoxyphenyl)-7-oxidanyl-3H-purine-2,6-dione

Systemtic Name: 8-(4-methoxyphenyl)-7-oxidanyl-3H-purine-2,6-dione Openeye Name: 7-hydroxy-8-(4-methoxyphenyl)-3H-purine-2,6-dione CAS Name: 7-hydroxy-8-(4-methoxyphenyl)-3H-purine-2,6-dione IUPAC Name: 7-hydroxy-8-(4-methoxyphenyl)-3H-purine-2,6-dione Traditional Name: 7-hydroxy-8-(4-methoxyphenyl)xanthine Formula: C12H10N4O4 MolecularWeight: 274.2322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(N2O)C(=O)NC(=O)N3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(N2O)C(=O)NC(=O)N3

InChI

InChI=1S/C12H10N4O4/c1-20-7-4-2-6(3-5-7)10-13-9-8(16(10)19)11(17)15-12(18)14-9/h2-5,19H,1H3,(H2,14,15,17,18)