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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-8-oxidanylidene-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-keto-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Formula: C22H19N5O7 MolecularWeight: 465.41556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N

InChI

InChI=1S/C22H19N5O7/c1-30-14-6-10(7-15(31-2)18(14)32-3)20-24-16(19(23)28)17-21(26-20)27(22(29)25-17)11-4-5-12-13(8-11)34-9-33-12/h4-8H,9H2,1-3H3,(H2,23,28)(H,25,29)