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

Systemtic Name: 9-(2-fluorophenyl)-8-oxidanylidene-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Openeye Name: 2-(4-benzyloxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(2-fluorophenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-(2-fluorophenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Traditional Name: 2-(4-benzoxyphenyl)-9-(2-fluorophenyl)-8-keto-7H-purine-6-carboxamide Formula: C25H18FN5O3 MolecularWeight: 455.440523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC(=C4C(=N3)N(C(=O)N4)C5=CC=CC=C5F)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC(=C4C(=N3)N(C(=O)N4)C5=CC=CC=C5F)C(=O)N

InChI

InChI=1S/C25H18FN5O3/c26-18-8-4-5-9-19(18)31-24-21(29-25(31)33)20(22(27)32)28-23(30-24)16-10-12-17(13-11-16)34-14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,27,32)(H,29,33)