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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethoxyphenyl)-7-ethyl-8-oxidanylidene-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethoxyphenyl)-7-ethyl-8-oxo-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethoxyphenyl)-7-ethyl-8-oxo-6-purinecarboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethoxyphenyl)-7-ethyl-8-oxopurine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-7-ethyl-8-keto-2-p-phenetyl-purine-6-carboxamide Formula: C23H21N5O5 MolecularWeight: 447.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C(N=C2N(C1=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)OCC)C(=O)N

Isomeric SMILES

CCN1C2=C(N=C(N=C2N(C1=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)OCC)C(=O)N

InChI

InChI=1S/C23H21N5O5/c1-3-27-19-18(20(24)29)25-21(13-5-8-15(9-6-13)31-4-2)26-22(19)28(23(27)30)14-7-10-16-17(11-14)33-12-32-16/h5-11H,3-4,12H2,1-2H3,(H2,24,29)