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

Systemtic Name: 9-[2,6-bis(fluoranyl)phenyl]-8-oxidanylidene-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide Openeye Name: 9-(2,6-difluorophenyl)-2-(4-isopropylphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(2,6-difluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-(2,6-difluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide Traditional Name: 9-(2,6-difluorophenyl)-8-keto-2-p-cumenyl-7H-purine-6-carboxamide Formula: C21H17F2N5O2 MolecularWeight: 409.388786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=C(C=CC=C4F)F)C(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=C(C=CC=C4F)F)C(=O)N

InChI

InChI=1S/C21H17F2N5O2/c1-10(2)11-6-8-12(9-7-11)19-25-15(18(24)29)16-20(27-19)28(21(30)26-16)17-13(22)4-3-5-14(17)23/h3-10H,1-2H3,(H2,24,29)(H,26,30)