9-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-3-methoxy-phenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-3-methoxy-phenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-3-methoxy-phenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-3-methoxy-phenyl)-8-keto-7H-purine-6-carboxamide Formula: C22H19N5O6 MolecularWeight: 449.41616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N)OC

InChI

InChI=1S/C22H19N5O6/c1-3-31-13-6-4-11(8-15(13)30-2)20-24-17(19(23)28)18-21(26-20)27(22(29)25-18)12-5-7-14-16(9-12)33-10-32-14/h4-9H,3,10H2,1-2H3,(H2,23,28)(H,25,29)