(2E)-9-(1,3-benzodioxol-5-yl)-2-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide

Systemtic Name: (2E)-9-(1,3-benzodioxol-5-yl)-2-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide Openeye Name: (2E)-9-(1,3-benzodioxol-5-yl)-2-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-8-oxo-1,7-dihydropurine-6-carboxamide CAS Name: (2E)-9-(1,3-benzodioxol-5-yl)-2-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-8-oxo-1,7-dihydropurine-6-carboxamide IUPAC Name: (2E)-9-(1,3-benzodioxol-5-yl)-2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-8-oxo-1,7-dihydropurine-6-carboxamide Traditional Name: (2E)-9-(1,3-benzodioxol-5-yl)-8-keto-2-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide Formula: C20H15N5O6 MolecularWeight: 421.363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N)C=CC1=O

Isomeric SMILES

COC1=C/C(=C/2\NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N)/C=CC1=O

InChI

InChI=1S/C20H15N5O6/c1-29-13-6-9(2-4-11(13)26)18-22-15(17(21)27)16-19(24-18)25(20(28)23-16)10-3-5-12-14(7-10)31-8-30-12/h2-7,22H,8H2,1H3,(H2,21,27)(H,23,28)/b18-9+