methyl 2-[2-(6-fluoranyl-1H-benzimidazol-2-yl)-7-(oxan-4-yl)-8-oxidanylidene-purin-9-yl]ethanoate

Systemtic Name: methyl 2-[2-(6-fluoranyl-1H-benzimidazol-2-yl)-7-(oxan-4-yl)-8-oxidanylidene-purin-9-yl]ethanoate Openeye Name: methyl 2-[2-(6-fluoro-1H-benzimidazol-2-yl)-8-oxo-7-tetrahydropyran-4-yl-purin-9-yl]acetate CAS Name: 2-[2-(6-fluoro-1H-benzimidazol-2-yl)-7-(4-oxanyl)-8-oxo-9-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(6-fluoro-1H-benzimidazol-2-yl)-7-(oxan-4-yl)-8-oxopurin-9-yl]acetate Traditional Name: 2-[2-(6-fluoro-1H-benzimidazol-2-yl)-8-keto-7-tetrahydropyran-4-yl-purin-9-yl]acetic acid methyl ester Formula: C20H19FN6O4 MolecularWeight: 426.401063

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=NC(=NC=C2N(C1=O)C3CCOCC3)C4=NC5=C(N4)C=C(C=C5)F

Isomeric SMILES

COC(=O)CN1C2=NC(=NC=C2N(C1=O)C3CCOCC3)C4=NC5=C(N4)C=C(C=C5)F

InChI

InChI=1S/C20H19FN6O4/c1-30-16(28)10-26-19-15(27(20(26)29)12-4-6-31-7-5-12)9-22-17(25-19)18-23-13-3-2-11(21)8-14(13)24-18/h2-3,8-9,12H,4-7,10H2,1H3,(H,23,24)