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

Systemtic Name: 9-(3,4-dimethylphenyl)-8-oxidanylidene-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Openeye Name: 2-(4-benzyloxyphenyl)-9-(3,4-dimethylphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3,4-dimethylphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-(3,4-dimethylphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Traditional Name: 2-(4-benzoxyphenyl)-9-(3,4-dimethylphenyl)-8-keto-7H-purine-6-carboxamide Formula: C27H23N5O3 MolecularWeight: 465.50322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)OCC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)OCC5=CC=CC=C5)C

InChI

InChI=1S/C27H23N5O3/c1-16-8-11-20(14-17(16)2)32-26-23(30-27(32)34)22(24(28)33)29-25(31-26)19-9-12-21(13-10-19)35-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H2,28,33)(H,30,34)