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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-8-oxidanylidene-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(4-benzyloxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-2-(4-benzoxyphenyl)-8-keto-7H-purine-6-carboxamide Formula: C26H19N5O5 MolecularWeight: 481.45956

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C4=NC(=NC(=C4NC3=O)C(=O)N)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C4=NC(=NC(=C4NC3=O)C(=O)N)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C26H19N5O5/c27-23(32)21-22-25(31(26(33)29-22)17-8-11-19-20(12-17)36-14-35-19)30-24(28-21)16-6-9-18(10-7-16)34-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H2,27,32)(H,29,33)