2-[6-(cyclohexylamino)-2-phenylsulfanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-(cyclohexylamino)-2-phenylsulfanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(cyclohexylamino)-2-phenylsulfanyl-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(cyclohexylamino)-2-(phenylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(cyclohexylamino)-2-phenylsulfanylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(cyclohexylamino)-2-(phenylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)SC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)SC5=CC=CC=C5

InChI

InChI=1S/C22H27N5O4S/c28-11-15-17(29)18(30)21(31-15)27-12-23-16-19(24-13-7-3-1-4-8-13)25-22(26-20(16)27)32-14-9-5-2-6-10-14/h2,5-6,9-10,12-13,15,17-18,21,28-30H,1,3-4,7-8,11H2,(H,24,25,26)