9-(1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-7-methyl-8-oxidanylidene-purine-6-carboxamide

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-7-methyl-8-oxidanylidene-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-7-methyl-8-oxo-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-7-methyl-8-oxo-6-purinecarboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-8-keto-7-methyl-purine-6-carboxamide Formula: C22H19N5O6 MolecularWeight: 449.41616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C(N=C2N(C1=O)C3=CC4=C(C=C3)OCO4)C5=C(C=CC(=C5)OC)OC)C(=O)N

Isomeric SMILES

CN1C2=C(N=C(N=C2N(C1=O)C3=CC4=C(C=C3)OCO4)C5=C(C=CC(=C5)OC)OC)C(=O)N

InChI

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