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

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

CCN(CC)C1=NC=NC2=C1N=C(N2C3C(C(C(O3)CO)O)O)SCC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C1=NC=NC2=C1N=C(N2C3C(C(C(O3)CO)O)O)SCC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O4S/c1-3-25(4-2)18-15-19(23-12-22-18)26(20-17(29)16(28)14(10-27)30-20)21(24-15)31-11-13-8-6-5-7-9-13/h5-9,12,14,16-17,20,27-29H,3-4,10-11H2,1-2H3