9-(3,4-dihydro-2H-chromen-4-yl)-2-(6-fluoranylbenzimidazol-1-yl)-8-oxidanylidene-7H-purine-6-carboxylic acid

Systemtic Name: 9-(3,4-dihydro-2H-chromen-4-yl)-2-(6-fluoranylbenzimidazol-1-yl)-8-oxidanylidene-7H-purine-6-carboxylic acid Openeye Name: 9-chroman-4-yl-2-(6-fluorobenzimidazol-1-yl)-8-oxo-7H-purine-6-carboxylic acid CAS Name: 9-(3,4-dihydro-2H-1-benzopyran-4-yl)-2-(6-fluoro-1-benzimidazolyl)-8-oxo-7H-purine-6-carboxylic acid IUPAC Name: 9-(3,4-dihydro-2H-chromen-4-yl)-2-(6-fluorobenzimidazol-1-yl)-8-oxo-7H-purine-6-carboxylic acid Traditional Name: 9-chroman-4-yl-2-(6-fluorobenzimidazol-1-yl)-8-keto-7H-purine-6-carboxylic acid Formula: C22H15FN6O4 MolecularWeight: 446.390703

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1N3C4=NC(=NC(=C4NC3=O)C(=O)O)N5C=NC6=C5C=C(C=C6)F

Isomeric SMILES

C1COC2=CC=CC=C2C1N3C4=NC(=NC(=C4NC3=O)C(=O)O)N5C=NC6=C5C=C(C=C6)F

InChI

InChI=1S/C22H15FN6O4/c23-11-5-6-13-15(9-11)28(10-24-13)21-25-18(20(30)31)17-19(27-21)29(22(32)26-17)14-7-8-33-16-4-2-1-3-12(14)16/h1-6,9-10,14H,7-8H2,(H,26,32)(H,30,31)