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

Systemtic Name: 2-(hydroxymethyl)-5-[8-(2-methylbutylamino)-6-(phenylmethylsulfanyl)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[6-benzylsulfanyl-8-(2-methylbutylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[8-(2-methylbutylamino)-6-(phenylmethylthio)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-[6-benzylsulfanyl-8-(2-methylbutylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylthio)-8-(2-methylbutylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2SCC4=CC=CC=C4

Isomeric SMILES

CCC(C)CNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2SCC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O4S/c1-3-13(2)9-23-22-26-16-19(27(22)21-18(30)17(29)15(10-28)31-21)24-12-25-20(16)32-11-14-7-5-4-6-8-14/h4-8,12-13,15,17-18,21,28-30H,3,9-11H2,1-2H3,(H,23,26)