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Name: acetic acid (2R,3R,4R,5S)-4-acetoxy-2-[6-((S)-1-benzyl-2-hydroxy-ethyl amino)-2-chloro-purin-9-yl]-5-(3-ethyl-isoxazol-5-yl)tetrahydro-furan-3-yl ester hydrochloride

IUPAC: [(2S,3R,4R,5R)-4-acetyloxy-5-[2-chloro-6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]purin-9-yl]-2-(3-ethyl-1,2-oxazol-5-yl)oxolan-3-yl] acetate;hydrochloride

SMILES: CCc1cc([C@H]2O[C@@H](n3cnc4c(N[C@H](CO)Cc5ccccc5)nc(Cl)nc43)[C@H](OC(C)=O)[C@@H]2OC(C)=O)on1.Cl

Canonical SMILES: CCC1=NOC(=C1)C2C(C(C(O2)N3C=NC4=C(N=C(N=C43)Cl)NC(CC5=CC=CC=C5)CO)OC(=O)C)OC(=O)C.Cl

Molecular formula: C27H30Cl2N6O7

Molecular weight: 621.50

InChIKey: FLZKZFQSGPQQPP-XIGSPGOBSA-N

InChI: InChI=1S/C27H29ClN6O7.ClH/c1-4-17-11-19(41-33-17)21-22(38-14(2)36)23(39-15(3)37)26(40-21)34-13-29-20-24(31-27(28)32-25(20)34)30-18(12-35)10-16-8-6-5-7-9-16;/h5-9,11,13,18,21-23,26,35H,4,10,12H2,1-3H3,(H,30,31,32);1H/t18-,21+,22+,23+,26+;/m0./s1

PubChem CID: 86623488 →

Synonyms

FLZKZFQSGPQQPP-XIGSPGOBSA-Nacetic acid (2R,3R,4R,5S)-4-acetoxy-2-[6-((S)-1-benzyl-2-hydroxy-ethyl amino)-2-chloro-purin-9-yl]-5-(3-ethyl-isoxazol-5-yl)-tetrahydro-furan-3-yi ester hydrochlorideAcetic acid (2R,3R,4R,5S)-4-acetoxy-2-[6-((S)-1-benzyl-2-hydroxy-ethyl amino)-2-chloro-purin-9-yl]-5-(3-ethyl-isoxazol-5-yl)-tetrahydro-furan-3-yl ester hydrochlorideacetic acid (2R,3R,4R,5S)-4-acetoxy-2-[6-((S)-1-benzyl-2-hydroxy-ethyl amino)-2-chloro-purin-9-yl]-5-(3-ethyl-isoxazol-5-yl)tetrahydro-furan-3-yl ester hydrochlorideacetic acid (2R,3R,4R,5S)-4-acetoxy-2-[6-((S)-1-benzyl-2-hydroxy-ethyl amino)-2-chloro-purin-9-yl]5-(3-ethyl-isoxazol-5-yl)-tetrahydro-furan-3-yl ester hydrochlorideAcetic acid (2R,3R,4R,5S)-4-acetoxy-2-[6-((S)-1-benzyl-2-hydroxy-ethylamino)-2-chloro-purin-9-yl]-5-(3-ethyl-isoxazol-5-yl)-tetrahydro-furan-3-yl ester hydrochloride

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