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

Systemtic Name: 9-cyclohexyl-8-oxidanylidene-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Openeye Name: 2-(4-benzyloxyphenyl)-9-cyclohexyl-8-oxo-7H-purine-6-carboxamide CAS Name: 9-cyclohexyl-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-cyclohexyl-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Traditional Name: 2-(4-benzoxyphenyl)-9-cyclohexyl-8-keto-7H-purine-6-carboxamide Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O3/c26-22(31)20-21-24(30(25(32)28-21)18-9-5-2-6-10-18)29-23(27-20)17-11-13-19(14-12-17)33-15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H2,26,31)(H,28,32)