2-(6-aminopurin-9-yl)-5-[[1-azanyl-8-(3-azanylpropylamino)octan-3-yl]sulfanylmethyl]oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[[1-azanyl-8-(3-azanylpropylamino)octan-3-yl]sulfanylmethyl]oxolane-3,4-diol Openeye Name: 2-[[1-(2-aminoethyl)-6-(3-aminopropylamino)hexyl]sulfanylmethyl]-5-(6-aminopurin-9-yl)tetrahydrofuran-3,4-diol CAS Name: 2-[[[1-amino-8-(3-aminopropylamino)octan-3-yl]thio]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol IUPAC Name: 2-[[1-amino-8-(3-aminopropylamino)octan-3-yl]sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[[[1-(2-aminoethyl)-6-(3-aminopropylamino)hexyl]thio]methyl]tetrahydrofuran-3,4-diol Formula: C21H38N8O3S MolecularWeight: 482.64322

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CSC(CCCCCNCCCN)CCN)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CSC(CCCCCNCCCN)CCN)O)O

InChI

InChI=1S/C21H38N8O3S/c22-7-4-10-25-9-3-1-2-5-14(6-8-23)33-11-15-17(30)18(31)21(32-15)29-13-28-16-19(24)26-12-27-20(16)29/h12-15,17-18,21,25,30-31H,1-11,22-23H2,(H2,24,26,27)