2-[3,4-bis(fluoranyl)phenyl]-9-(3,4-dimethoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-9-(3,4-dimethoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(3,4-difluorophenyl)-9-(3,4-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(3,4-difluorophenyl)-9-(3,4-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(3,4-difluorophenyl)-9-(3,4-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(3,4-difluorophenyl)-9-(3,4-dimethoxyphenyl)-8-keto-7H-purine-6-carboxamide Formula: C20H15F2N5O4 MolecularWeight: 427.361006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=C(C=C4)F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=C(C=C4)F)F)OC

InChI

InChI=1S/C20H15F2N5O4/c1-30-13-6-4-10(8-14(13)31-2)27-19-16(25-20(27)29)15(17(23)28)24-18(26-19)9-3-5-11(21)12(22)7-9/h3-8H,1-2H3,(H2,23,28)(H,25,29)