2-[3-[bis(fluoranyl)methyl]phenyl]-9-(2-methoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-[3-[bis(fluoranyl)methyl]phenyl]-9-(2-methoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-[3-(difluoromethyl)phenyl]-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-[3-(difluoromethyl)phenyl]-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-[3-(difluoromethyl)phenyl]-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-[3-(difluoromethyl)phenyl]-8-keto-9-(2-methoxyphenyl)-7H-purine-6-carboxamide Formula: C20H15F2N5O3 MolecularWeight: 411.361606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CC=C4)C(F)F

Isomeric SMILES

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CC=C4)C(F)F

InChI

InChI=1S/C20H15F2N5O3/c1-30-13-8-3-2-7-12(13)27-19-15(25-20(27)29)14(17(23)28)24-18(26-19)11-6-4-5-10(9-11)16(21)22/h2-9,16H,1H3,(H2,23,28)(H,25,29)