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

Systemtic Name: 2-[8-(butylamino)-6-(phenylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-benzylsulfanyl-8-(butylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[8-(butylamino)-6-(phenylmethylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-benzylsulfanyl-8-(butylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylthio)-8-(butylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H27N5O4S MolecularWeight: 445.53518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2SCC4=CC=CC=C4

Isomeric SMILES

CCCCNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2SCC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O4S/c1-2-3-9-22-21-25-15-18(26(21)20-17(29)16(28)14(10-27)30-20)23-12-24-19(15)31-11-13-7-5-4-6-8-13/h4-8,12,14,16-17,20,27-29H,2-3,9-11H2,1H3,(H,22,25)