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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C2NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N)C=CC1=O

Isomeric SMILES

CCOC1=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/C21H17N5O6/c1-2-30-14-7-10(3-5-12(14)27)19-23-16(18(22)28)17-20(25-19)26(21(29)24-17)11-4-6-13-15(8-11)32-9-31-13/h3-8,23H,2,9H2,1H3,(H2,22,28)(H,24,29)/b19-10-