[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-(phenylmethylsulfanyl)oxolan-3-yl] methanesulfonate

Systemtic Name: [2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-(phenylmethylsulfanyl)oxolan-3-yl] methanesulfonate Openeye Name: [2-(6-aminopurin-9-yl)-4-benzylsulfanyl-5-(hydroxymethyl)tetrahydrofuran-3-yl] methanesulfonate CAS Name: methanesulfonic acid [2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-(phenylmethylthio)-3-oxolanyl] ester IUPAC Name: [2-(6-aminopurin-9-yl)-4-benzylsulfanyl-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-adenin-9-yl-4-(benzylthio)-5-methylol-tetrahydrofuran-3-yl] ester Formula: C18H21N5O5S2 MolecularWeight: 451.51984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)SCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)OC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)SCC4=CC=CC=C4

InChI

InChI=1S/C18H21N5O5S2/c1-30(25,26)28-14-15(29-8-11-5-3-2-4-6-11)12(7-24)27-18(14)23-10-22-13-16(19)20-9-21-17(13)23/h2-6,9-10,12,14-15,18,24H,7-8H2,1H3,(H2,19,20,21)