2-(6-aminopurin-9-yl)-5-[8-(propylamino)octan-3-ylsulfanylmethyl]oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[8-(propylamino)octan-3-ylsulfanylmethyl]oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-[[1-ethyl-6-(propylamino)hexyl]sulfanylmethyl]tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[[8-(propylamino)octan-3-ylthio]methyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-[8-(propylamino)octan-3-ylsulfanylmethyl]oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[[[1-ethyl-6-(propylamino)hexyl]thio]methyl]tetrahydrofuran-3,4-diol Formula: C21H36N6O3S MolecularWeight: 452.61394

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCCCCCC(CC)SCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CCCNCCCCCC(CC)SCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C21H36N6O3S/c1-3-9-23-10-7-5-6-8-14(4-2)31-11-15-17(28)18(29)21(30-15)27-13-26-16-19(22)24-12-25-20(16)27/h12-15,17-18,21,23,28-29H,3-11H2,1-2H3,(H2,22,24,25)