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

Systemtic Name: (2R,3R,4S,5R)-2-[6-azanyl-8-[4-[[6-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]amino]butylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: (2R,3R,4S,5R)-2-[6-amino-8-[4-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-8-yl]amino]butylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5R)-2-[6-amino-8-[4-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-purinyl]amino]butylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5R)-2-[6-amino-8-[4-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]amino]butylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-[6-amino-8-[4-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]purin-8-yl]amino]butylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C24H34N12O8 MolecularWeight: 618.60236

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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)NCCCCNC4=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)NCCCCNC4=NC5=C(N4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N=CN=C5N

InChI

InChI=1S/C24H34N12O8/c25-17-11-19(31-7-29-17)35(21-15(41)13(39)9(5-37)43-21)23(33-11)27-3-1-2-4-28-24-34-12-18(26)30-8-32-20(12)36(24)22-16(42)14(40)10(6-38)44-22/h7-10,13-16,21-22,37-42H,1-6H2,(H,27,33)(H,28,34)(H2,25,29,31)(H2,26,30,32)/t9-,10-,13-,14-,15-,16-,21-,22-/m1/s1