9-(4-tert-butylphenyl)-8-oxidanylidene-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide

Systemtic Name: 9-(4-tert-butylphenyl)-8-oxidanylidene-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Openeye Name: 2-(4-benzyloxyphenyl)-9-(4-tert-butylphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(4-tert-butylphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-(4-tert-butylphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Traditional Name: 2-(4-benzoxyphenyl)-9-(4-tert-butylphenyl)-8-keto-7H-purine-6-carboxamide Formula: C29H27N5O3 MolecularWeight: 493.55638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27N5O3/c1-29(2,3)20-11-13-21(14-12-20)34-27-24(32-28(34)36)23(25(30)35)31-26(33-27)19-9-15-22(16-10-19)37-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H2,30,35)(H,32,36)