2-(hydroxymethyl)-5-[8-(2-methylbutylamino)sulfanyl-6-oxidanyl-6-(phenylmethyl)-3H-purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[8-(2-methylbutylamino)sulfanyl-6-oxidanyl-6-(phenylmethyl)-3H-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[6-benzyl-6-hydroxy-8-(2-methylbutylamino)sulfanyl-3H-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-hydroxy-N-(2-methylbutyl)-6-(phenylmethyl)-3H-purine-8-sulfenamide IUPAC Name: 2-[6-benzyl-6-hydroxy-8-(2-methylbutylamino)sulfanyl-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-benzyl-6-hydroxy-8-[(2-methylbutylamino)thio]-3H-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H31N5O5S MolecularWeight: 477.57704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNSC1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC=NC2(CC4=CC=CC=C4)O

Isomeric SMILES

CCC(C)CNSC1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC=NC2(CC4=CC=CC=C4)O

InChI

InChI=1S/C22H31N5O5S/c1-3-13(2)10-25-33-21-26-18-19(27(21)20-17(30)16(29)15(11-28)32-20)23-12-24-22(18,31)9-14-7-5-4-6-8-14/h4-8,12-13,15-17,20,25,28-31H,3,9-11H2,1-2H3,(H,23,24)