3-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-azanyl-4-oxidanyl-5-[6-(7H-purin-6-ylamino)hexoxy]oxan-2-yl]oxy-4,6-bis(azanyl)cyclohexane-1,2-diol

Systemtic Name: 3-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-azanyl-4-oxidanyl-5-[6-(7H-purin-6-ylamino)hexoxy]oxan-2-yl]oxy-4,6-bis(azanyl)cyclohexane-1,2-diol Openeye Name: 4,6-diamino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4-hydroxy-5-[6-(7H-purin-6-ylamino)hexoxy]tetrahydropyran-2-yl]oxy-cyclohexane-1,2-diol CAS Name: 4,6-diamino-3-[[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4-hydroxy-5-[6-(7H-purin-6-ylamino)hexoxy]-2-oxanyl]oxy]cyclohexane-1,2-diol IUPAC Name: 4,6-diamino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4-hydroxy-5-[6-(7H-purin-6-ylamino)hexoxy]oxan-2-yl]oxycyclohexane-1,2-diol Traditional Name: 4,6-diamino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4-hydroxy-5-[6-(7H-purin-6-ylamino)hexoxy]tetrahydropyran-2-yl]oxy-cyclohexane-1,2-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)OCCCCCCNC3=NC=NC4=C3NC=N4)O)N)O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H41N9O6/c24-8-13-20(17(34)14(27)23(37-13)38-19-12(26)7-11(25)16(33)18(19)35)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