(2R,3R,4S,5R)-2-[6-azanyl-8-[3-[[6-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]amino]propylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: (2R,3R,4S,5R)-2-[6-azanyl-8-[3-[[6-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]amino]propylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: (2R,3R,4S,5R)-2-[6-amino-8-[3-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-8-yl]amino]propylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5R)-2-[6-amino-8-[3-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-purinyl]amino]propylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5R)-2-[6-amino-8-[3-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]amino]propylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-[6-amino-8-[3-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]purin-8-yl]amino]propylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C23H32N12O8 MolecularWeight: 604.57578

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)NCCCNC4=NC5=C(N4C6C(C(C(O6)CO)O)O)N=CN=C5N

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NCCCNC4=NC5=C(N4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N=CN=C5N

InChI

InChI=1S/C23H32N12O8/c24-16-10-18(30-6-28-16)34(20-14(40)12(38)8(4-36)42-20)22(32-10)26-2-1-3-27-23-33-11-17(25)29-7-31-19(11)35(23)21-15(41)13(39)9(5-37)43-21/h6-9,12-15,20-21,36-41H,1-5H2,(H,26,32)(H,27,33)(H2,24,28,30)(H2,25,29,31)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1