[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-adenin-9-yl-3-hydroxy-4-(naphthionylamino)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C22H28N7O14P3S MolecularWeight: 739.482503

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3C(C(OC3N4C=NC5=C4N=CN=C5N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H]3[C@@H]([C@H](O[C@H]3N4C=NC5=C4N=CN=C5N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C22H28N7O14P3S/c1-28(2)14-7-3-6-13-12(14)5-4-8-16(13)47(38,39)27-17-19(30)15(9-40-45(34,35)43-46(36,37)42-44(31,32)33)41-22(17)29-11-26-18-20(23)24-10-25-21(18)29/h3-8,10-11,15,17,19,22,27,30H,9H2,1-2H3,(H,34,35)(H,36,37)(H2,23,24,25)(H2,31,32,33)/t15-,17-,19-,22-/m1/s1