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

Systemtic Name: 2-(hydroxymethyl)-5-[8-morpholin-4-ylsulfanyl-6-oxidanyl-6-(phenylmethyl)-3H-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(6-benzyl-6-hydroxy-8-morpholinosulfanyl-3H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-hydroxy-8-(4-morpholinylthio)-6-(phenylmethyl)-3H-purin-9-yl]oxolane-3,4-diol IUPAC Name: 2-(6-benzyl-6-hydroxy-8-morpholin-4-ylsulfanyl-3H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-benzyl-6-hydroxy-8-(morpholinothio)-3H-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H27N5O6S MolecularWeight: 477.53398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1SC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC=NC3(CC5=CC=CC=C5)O

Isomeric SMILES

C1COCCN1SC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC=NC3(CC5=CC=CC=C5)O

InChI

InChI=1S/C21H27N5O6S/c27-11-14-15(28)16(29)19(32-14)26-18-17(24-20(26)33-25-6-8-31-9-7-25)21(30,23-12-22-18)10-13-4-2-1-3-5-13/h1-5,12,14-16,19,27-30H,6-11H2,(H,22,23)