2-(5-bromanyl-2-fluoranyl-phenyl)-9-(4-fluorophenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(5-bromanyl-2-fluoranyl-phenyl)-9-(4-fluorophenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(5-bromo-2-fluoro-phenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(5-bromo-2-fluorophenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(5-bromo-2-fluorophenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(5-bromo-2-fluoro-phenyl)-9-(4-fluorophenyl)-8-keto-7H-purine-6-carboxamide Formula: C18H10BrF2N5O2 MolecularWeight: 446.205106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=C(C=CC(=C4)Br)F)F

Isomeric SMILES

C1=CC(=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=C(C=CC(=C4)Br)F)F

InChI

InChI=1S/C18H10BrF2N5O2/c19-8-1-6-12(21)11(7-8)16-23-13(15(22)27)14-17(25-16)26(18(28)24-14)10-4-2-9(20)3-5-10/h1-7H,(H2,22,27)(H,24,28)