5-[2-[2-[[[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]sulfanylethanoylamino]ethylamino]naphthalene-1-sulfonic acid

Systemtic Name: 5-[2-[2-[[[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]sulfanylethanoylamino]ethylamino]naphthalene-1-sulfonic acid Openeye Name: 5-[2-[[2-[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]sulfanylacetyl]amino]ethylamino]naphthalene-1-sulfonic acid CAS Name: 5-[2-[[2-[[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]thio]-1-oxoethyl]amino]ethylamino]-1-naphthalenesulfonic acid IUPAC Name: 5-[2-[[2-[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]sulfanylacetyl]amino]ethylamino]naphthalene-1-sulfonic acid Traditional Name: 5-[2-[[2-[[[[[(2R,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]thio]acetyl]amino]ethylamino]naphthalene-1-sulfonic acid Formula: C24H30N7O17P3S2 MolecularWeight: 845.582983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCNC(=O)CSP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4NC(=NC5=O)N)O)O

Isomeric SMILES

C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCNC(=O)CSP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4NC(=NC5=O)N)O)O

InChI

InChI=1S/C24H30N7O17P3S2/c25-24-29-21-18(22(35)30-24)28-11-31(21)23-20(34)19(33)15(46-23)9-45-49(36,37)47-50(38,39)48-51(40,41)52-10-17(32)27-8-7-26-14-5-1-4-13-12(14)3-2-6-16(13)53(42,43)44/h1-6,11,15,19-20,23,26,33-34H,7-10H2,(H,27,32)(H,36,37)(H,38,39)(H,40,41)(H,42,43,44)(H3,25,29,30,35)/t15-,19-,20-,23-/m1/s1