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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-8-oxo-1,7-dihydropurine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-8-oxo-1,7-dihydropurine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-8-oxo-1,7-dihydropurine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-keto-2-(6-keto-5-methoxy-cyclohexa-2,4-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=CC(=C2NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N)C1=O

Isomeric SMILES

COC1=CC=CC(=C2NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N)C1=O

InChI

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