2-(3-ethoxy-4-propoxy-phenyl)-9-(4-fluorophenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(3-ethoxy-4-propoxy-phenyl)-9-(4-fluorophenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(3-ethoxy-4-propoxy-phenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(3-ethoxy-4-propoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(3-ethoxy-4-propoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(3-ethoxy-4-propoxy-phenyl)-9-(4-fluorophenyl)-8-keto-7H-purine-6-carboxamide Formula: C23H22FN5O4 MolecularWeight: 451.450283

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)F)C(=O)N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)F)C(=O)N)OCC

InChI

InChI=1S/C23H22FN5O4/c1-3-11-33-16-10-5-13(12-17(16)32-4-2)21-26-18(20(25)30)19-22(28-21)29(23(31)27-19)15-8-6-14(24)7-9-15/h5-10,12H,3-4,11H2,1-2H3,(H2,25,30)(H,27,31)