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

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-9-(3-chlorophenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(3-chlorophenyl)-2-(3,4-difluorophenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3-chlorophenyl)-2-(3,4-difluorophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(3-chlorophenyl)-2-(3,4-difluorophenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(3-chlorophenyl)-2-(3,4-difluorophenyl)-8-keto-7H-purine-6-carboxamide Formula: C18H10ClF2N5O2 MolecularWeight: 401.754106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H10ClF2N5O2/c19-9-2-1-3-10(7-9)26-17-14(24-18(26)28)13(15(22)27)23-16(25-17)8-4-5-11(20)12(21)6-8/h1-7H,(H2,22,27)(H,24,28)