5-(3-methoxy-4-oxidanyl-phenyl)-6-(3-methoxy-4-oxidanyl-phenyl)carbonyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 5-(3-methoxy-4-oxidanyl-phenyl)-6-(3-methoxy-4-oxidanyl-phenyl)carbonyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione Openeye Name: 6-(4-hydroxy-3-methoxy-benzoyl)-5-(4-hydroxy-3-methoxy-phenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione CAS Name: 5-(4-hydroxy-3-methoxyphenyl)-6-[(4-hydroxy-3-methoxyphenyl)-oxomethyl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione IUPAC Name: 6-(4-hydroxy-3-methoxybenzoyl)-5-(4-hydroxy-3-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione Traditional Name: 5-(4-hydroxy-3-methoxy-phenyl)-6-vanilloyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-quinone Formula: C21H17N3O7 MolecularWeight: 423.37558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(NC3=C2C(=O)NC(=O)N3)C(=O)C4=CC(=C(C=C4)O)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(NC3=C2C(=O)NC(=O)N3)C(=O)C4=CC(=C(C=C4)O)OC)O

InChI

InChI=1S/C21H17N3O7/c1-30-13-7-9(3-5-11(13)25)15-16-19(23-21(29)24-20(16)28)22-17(15)18(27)10-4-6-12(26)14(8-10)31-2/h3-8,25-26H,1-2H3,(H3,22,23,24,28,29)