2-[8-(hexylamino)-6-(phenylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[8-(hexylamino)-6-(phenylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-benzylsulfanyl-8-(hexylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[8-(hexylamino)-6-(phenylmethylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-benzylsulfanyl-8-(hexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylthio)-8-(hexylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C23H31N5O4S MolecularWeight: 473.58834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2SCC4=CC=CC=C4

Isomeric SMILES

CCCCCCNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2SCC4=CC=CC=C4

InChI

InChI=1S/C23H31N5O4S/c1-2-3-4-8-11-24-23-27-17-20(28(23)22-19(31)18(30)16(12-29)32-22)25-14-26-21(17)33-13-15-9-6-5-7-10-15/h5-7,9-10,14,16,18-19,22,29-31H,2-4,8,11-13H2,1H3,(H,24,27)