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

Systemtic Name: 2-(4-butoxyphenyl)-9-(4-fluorophenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(4-butoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(4-butoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(4-butoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(4-butoxyphenyl)-9-(4-fluorophenyl)-8-keto-7H-purine-6-carboxamide Formula: C22H20FN5O3 MolecularWeight: 421.424303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)F)C(=O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)F)C(=O)N

InChI

InChI=1S/C22H20FN5O3/c1-2-3-12-31-16-10-4-13(5-11-16)20-25-17(19(24)29)18-21(27-20)28(22(30)26-18)15-8-6-14(23)7-9-15/h4-11H,2-3,12H2,1H3,(H2,24,29)(H,26,30)