9-(3,4-dihydro-2H-chromen-4-yl)-2-(6-fluoranylbenzimidazol-1-yl)-6-(hydroxymethyl)-7H-purin-8-one

Systemtic Name: 9-(3,4-dihydro-2H-chromen-4-yl)-2-(6-fluoranylbenzimidazol-1-yl)-6-(hydroxymethyl)-7H-purin-8-one Openeye Name: 9-chroman-4-yl-2-(6-fluorobenzimidazol-1-yl)-6-(hydroxymethyl)-7H-purin-8-one CAS Name: 9-(3,4-dihydro-2H-1-benzopyran-4-yl)-2-(6-fluoro-1-benzimidazolyl)-6-(hydroxymethyl)-7H-purin-8-one IUPAC Name: 9-(3,4-dihydro-2H-chromen-4-yl)-2-(6-fluorobenzimidazol-1-yl)-6-(hydroxymethyl)-7H-purin-8-one Traditional Name: 9-chroman-4-yl-2-(6-fluorobenzimidazol-1-yl)-6-methylol-7H-purin-8-one Formula: C22H17FN6O3 MolecularWeight: 432.407183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17FN6O3/c23-12-5-6-14-17(9-12)28(11-24-14)21-25-15(10-30)19-20(27-21)29(22(31)26-19)16-7-8-32-18-4-2-1-3-13(16)18/h1-6,9,11,16,30H,7-8,10H2,(H,26,31)