[(2R,3R,4R,5R)-3,4-diacetyloxy-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,3R,4R,5R)-3,4-diacetyloxy-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,3R,4R,5R)-3,4-diacetoxy-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,3R,4R,5R)-5-[2-[acetyl-[(9S,10S)-10-(methanesulfonamido)-9,10-dihydrophenanthren-9-yl]amino]-6-oxo-3H-purin-9-yl]-3,4-diacetyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-5-[2-[acetyl-[(9S,10S)-10-(methanesulfonamido)-9,10-dihydrophenanthren-9-yl]amino]-6-oxo-3H-purin-9-yl]-3,4-diacetyloxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetoxy-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: C33H34N6O11S MolecularWeight: 722.72166

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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)C6C(C(C(O6)COC(=O)C)OC(=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]6[C@@H]([C@@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C33H34N6O11S/c1-16(40)39(27-23-13-9-7-11-21(23)20-10-6-8-12-22(20)25(27)37-51(5,45)46)33-35-30-26(31(44)36-33)34-15-38(30)32-29(49-19(4)43)28(48-18(3)42)24(50-32)14-47-17(2)41/h6-13,15,24-25,27-29,32,37H,14H2,1-5H3,(H,35,36,44)/t24-,25+,27+,28-,29-,32-/m1/s1