9-(3,4-dimethoxyphenyl)-8-oxidanylidene-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide

Systemtic Name: 9-(3,4-dimethoxyphenyl)-8-oxidanylidene-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Openeye Name: 2-(4-benzyloxyphenyl)-9-(3,4-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-(3,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Traditional Name: 2-(4-benzoxyphenyl)-9-(3,4-dimethoxyphenyl)-8-keto-7H-purine-6-carboxamide Formula: C27H23N5O5 MolecularWeight: 497.50202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)OCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C27H23N5O5/c1-35-20-13-10-18(14-21(20)36-2)32-26-23(30-27(32)34)22(24(28)33)29-25(31-26)17-8-11-19(12-9-17)37-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H2,28,33)(H,30,34)