(2Z)-2-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-9-(3,4-dimethoxyphenyl)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide

Systemtic Name: (2Z)-2-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-9-(3,4-dimethoxyphenyl)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide Openeye Name: (2Z)-2-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-9-(3,4-dimethoxyphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide CAS Name: (2Z)-2-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-9-(3,4-dimethoxyphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide IUPAC Name: (2Z)-2-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-9-(3,4-dimethoxyphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide Traditional Name: (2Z)-2-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-9-(3,4-dimethoxyphenyl)-8-keto-1,7-dihydropurine-6-carboxamide Formula: C20H16BrN5O5 MolecularWeight: 486.27554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C3=NC(=C4C=C(C=CC4=O)Br)NC(=C3NC2=O)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C3=N/C(=C\4/C=C(C=CC4=O)Br)/NC(=C3NC2=O)C(=O)N)OC

InChI

InChI=1S/C20H16BrN5O5/c1-30-13-6-4-10(8-14(13)31-2)26-19-16(24-20(26)29)15(17(22)28)23-18(25-19)11-7-9(21)3-5-12(11)27/h3-8,23H,1-2H3,(H2,22,28)(H,24,29)/b18-11-