9-(1,3-benzodioxol-5-yl)-2-(5-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-8-oxo-1,7-dihydropurine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-(5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-8-oxo-1,7-dihydropurine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-2-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-8-keto-1,7-dihydropurine-6-carboxamide Formula: C21H17N5O6 MolecularWeight: 435.38958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C2NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N)C1=O

Isomeric SMILES

CCOC1=CC=CC(=C2NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N)C1=O

InChI

InChI=1S/C21H17N5O6/c1-2-30-13-5-3-4-11(17(13)27)19-23-15(18(22)28)16-20(25-19)26(21(29)24-16)10-6-7-12-14(8-10)32-9-31-12/h3-8,23H,2,9H2,1H3,(H2,22,28)(H,24,29)