2-azanyl-9-[(2R,3R,4R,5R)-4-[2-[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]propan-2-yloxy]-3-fluoranyl-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2R,3R,4R,5R)-4-[2-[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]propan-2-yloxy]-3-fluoranyl-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,3R,4R,5R)-4-[1-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-1-methyl-ethoxy]-3-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,3R,4R,5R)-4-[2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy]propan-2-yloxy]-3-fluoro-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,3R,4R,5R)-4-[2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propan-2-yloxy]-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,3R,4R,5R)-4-[1-[[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-1-methyl-ethoxy]-3-fluoro-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C22H29FN8O9 MolecularWeight: 568.512263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OC3C(OC(C3F)N4C=NC5=C4NC(=NC5=O)N)CO

Isomeric SMILES

CC(C)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O[C@@H]3[C@H](O[C@H]([C@@H]3F)N4C=NC5=C4NC(=NC5=O)N)CO

InChI

InChI=1S/C22H29FN8O9/c1-22(2,37-6-9-13(33)14(34)19(39-9)30-4-3-10(24)27-21(30)36)40-15-8(5-32)38-18(11(15)23)31-7-26-12-16(31)28-20(25)29-17(12)35/h3-4,7-9,11,13-15,18-19,32-34H,5-6H2,1-2H3,(H2,24,27,36)(H3,25,28,29,35)/t8-,9-,11-,13-,14-,15-,18-,19-/m1/s1