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

Systemtic Name: 9-(3-methylphenyl)-8-oxidanylidene-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Openeye Name: 2-(4-benzyloxyphenyl)-9-(m-tolyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3-methylphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-(3-methylphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Traditional Name: 2-(4-benzoxyphenyl)-8-keto-9-(m-tolyl)-7H-purine-6-carboxamide Formula: C26H21N5O3 MolecularWeight: 451.47664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N5O3/c1-16-6-5-9-19(14-16)31-25-22(29-26(31)33)21(23(27)32)28-24(30-25)18-10-12-20(13-11-18)34-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H2,27,32)(H,29,33)