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

Systemtic Name: 9-[2,6-bis(fluoranyl)phenyl]-2-(3-methylthiophen-2-yl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(2,6-difluorophenyl)-2-(3-methyl-2-thienyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(2,6-difluorophenyl)-2-(3-methyl-2-thiophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(2,6-difluorophenyl)-8-keto-2-(3-methyl-2-thienyl)-7H-purine-6-carboxamide Formula: C17H11F2N5O2S MolecularWeight: 387.363346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=C(C=CC=C4F)F)C(=O)N

Isomeric SMILES

CC1=C(SC=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=C(C=CC=C4F)F)C(=O)N

InChI

InChI=1S/C17H11F2N5O2S/c1-7-5-6-27-13(7)15-21-10(14(20)25)11-16(23-15)24(17(26)22-11)12-8(18)3-2-4-9(12)19/h2-6H,1H3,(H2,20,25)(H,22,26)