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

Systemtic Name: 9-[2,6-bis(fluoranyl)phenyl]-8-oxidanylidene-2-phenethyl-7H-purine-6-carboxamide Openeye Name: 9-(2,6-difluorophenyl)-8-oxo-2-phenethyl-7H-purine-6-carboxamide CAS Name: 9-(2,6-difluorophenyl)-8-oxo-2-phenethyl-7H-purine-6-carboxamide IUPAC Name: 9-(2,6-difluorophenyl)-8-oxo-2-phenethyl-7H-purine-6-carboxamide Traditional Name: 9-(2,6-difluorophenyl)-8-keto-2-phenethyl-7H-purine-6-carboxamide Formula: C20H15F2N5O2 MolecularWeight: 395.362206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC(=C3C(=N2)N(C(=O)N3)C4=C(C=CC=C4F)F)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC(=C3C(=N2)N(C(=O)N3)C4=C(C=CC=C4F)F)C(=O)N

InChI

InChI=1S/C20H15F2N5O2/c21-12-7-4-8-13(22)17(12)27-19-16(26-20(27)29)15(18(23)28)24-14(25-19)10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,23,28)(H,26,29)