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

Systemtic Name: 2-[4-chloranyl-2,6-bis(fluoranyl)phenyl]-9-(4-methylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(4-chloro-2,6-difluoro-phenyl)-8-oxo-9-(p-tolyl)-7H-purine-6-carboxamide CAS Name: 2-(4-chloro-2,6-difluorophenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(4-chloro-2,6-difluorophenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(4-chloro-2,6-difluoro-phenyl)-8-keto-9-(p-tolyl)-7H-purine-6-carboxamide Formula: C19H12ClF2N5O2 MolecularWeight: 415.780686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=C(C=C(C=C4F)Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=C(C=C(C=C4F)Cl)F

InChI

InChI=1S/C19H12ClF2N5O2/c1-8-2-4-10(5-3-8)27-18-15(25-19(27)29)14(16(23)28)24-17(26-18)13-11(21)6-9(20)7-12(13)22/h2-7H,1H3,(H2,23,28)(H,25,29)