(2R,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[4,6-bis(azanyl)-3-oxidanyl-2-[6-(7H-purin-6-ylamino)hexoxy]cyclohexyl]oxy-oxane-3,4-diol

Systemtic Name: (2R,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[4,6-bis(azanyl)-3-oxidanyl-2-[6-(7H-purin-6-ylamino)hexoxy]cyclohexyl]oxy-oxane-3,4-diol Openeye Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[4,6-diamino-3-hydroxy-2-[6-(7H-purin-6-ylamino)hexoxy]cyclohexoxy]tetrahydropyran-3,4-diol CAS Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[4,6-diamino-3-hydroxy-2-[6-(7H-purin-6-ylamino)hexoxy]cyclohexyl]oxyoxane-3,4-diol IUPAC Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[4,6-diamino-3-hydroxy-2-[6-(7H-purin-6-ylamino)hexoxy]cyclohexyl]oxyoxane-3,4-diol Traditional Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[4,6-diamino-3-hydroxy-2-[6-(7H-purin-6-ylamino)hexoxy]cyclohexoxy]tetrahydropyran-3,4-diol Formula: C23H41N9O6 MolecularWeight: 539.62834

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OCCCCCCNC3=NC=NC4=C3NC=N4)O)N

Isomeric SMILES

C1C(C(C(C(C1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)OCCCCCCNC3=NC=NC4=C3NC=N4)O)N

InChI

InChI=1S/C23H41N9O6/c24-8-13-17(34)18(35)14(27)23(37-13)38-19-12(26)7-11(25)16(33)20(19)36-6-4-2-1-3-5-28-21-15-22(30-9-29-15)32-10-31-21/h9-14,16-20,23,33-35H,1-8,24-27H2,(H2,28,29,30,31,32)/t11?,12?,13-,14-,16?,17-,18-,19?,20?,23-/m1/s1