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

Systemtic Name: 2-[8-(cyclopentylamino)-6-(phenylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-benzylsulfanyl-8-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[8-(cyclopentylamino)-6-(phenylmethylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-benzylsulfanyl-8-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylthio)-8-(cyclopentylamino)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(C1)NC2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3SCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3SCC5=CC=CC=C5

InChI

InChI=1S/C22H27N5O4S/c28-10-15-17(29)18(30)21(31-15)27-19-16(26-22(27)25-14-8-4-5-9-14)20(24-12-23-19)32-11-13-6-2-1-3-7-13/h1-3,6-7,12,14-15,17-18,21,28-30H,4-5,8-11H2,(H,25,26)