[(2R,3S,5R)-3-acetyloxy-5-[2-[ethanoyl-[(9S,10S)-10-(methylsulfonylamino)-9,10-dihydrophenanthren-9-yl]amino]-6-oxidanylidene-3H-purin-9-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,5R)-3-acetyloxy-5-[2-[ethanoyl-[(9S,10S)-10-(methylsulfonylamino)-9,10-dihydrophenanthren-9-yl]amino]-6-oxidanylidene-3H-purin-9-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,5R)-3-acetoxy-5-[2-[acetyl-[(9S,10S)-10-(methanesulfonamido)-9,10-dihydrophenanthren-9-yl]amino]-6-oxo-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,5R)-5-[2-[acetyl-[(9S,10S)-10-(methanesulfonamido)-9,10-dihydrophenanthren-9-yl]amino]-6-oxo-3H-purin-9-yl]-3-acetyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-[2-[acetyl-[(9S,10S)-10-(methanesulfonamido)-9,10-dihydrophenanthren-9-yl]amino]-6-oxo-3H-purin-9-yl]-3-acetyloxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,5R)-3-acetoxy-5-[2-[acetyl-[(9S,10S)-10-(methanesulfonamido)-9,10-dihydrophenanthren-9-yl]amino]-6-keto-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C31H32N6O9S MolecularWeight: 664.68558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1C(C2=CC=CC=C2C3=CC=CC=C13)NS(=O)(=O)C)C4=NC(=O)C5=C(N4)N(C=N5)C6CC(C(O6)COC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N([C@@H]1[C@H](C2=CC=CC=C2C3=CC=CC=C13)NS(=O)(=O)C)C4=NC(=O)C5=C(N4)N(C=N5)[C@H]6C[C@@H]([C@H](O6)COC(=O)C)OC(=O)C

InChI

InChI=1S/C31H32N6O9S/c1-16(38)37(28-22-12-8-6-10-20(22)19-9-5-7-11-21(19)26(28)35-47(4,42)43)31-33-29-27(30(41)34-31)32-15-36(29)25-13-23(45-18(3)40)24(46-25)14-44-17(2)39/h5-12,15,23-26,28,35H,13-14H2,1-4H3,(H,33,34,41)/t23-,24+,25+,26-,28-/m0/s1