[6-azanyl-2-(2-hydroxyethylsulfanyl)-9-(phenylmethyl)purin-8-yl] 2-methylpropyl carbonate

Systemtic Name: [6-azanyl-2-(2-hydroxyethylsulfanyl)-9-(phenylmethyl)purin-8-yl] 2-methylpropyl carbonate Openeye Name: [6-amino-9-benzyl-2-(2-hydroxyethylsulfanyl)purin-8-yl] isobutyl carbonate CAS Name: carbonic acid [6-amino-2-(2-hydroxyethylthio)-9-(phenylmethyl)-8-purinyl] 2-methylpropyl ester IUPAC Name: [6-amino-9-benzyl-2-(2-hydroxyethylsulfanyl)purin-8-yl] 2-methylpropyl carbonate Traditional Name: carbonic acid [6-amino-9-benzyl-2-(2-hydroxyethylthio)purin-8-yl] isobutyl ester Formula: C19H23N5O4S MolecularWeight: 417.48202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)OC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2N)SCCO

Isomeric SMILES

CC(C)COC(=O)OC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2N)SCCO

InChI

InChI=1S/C19H23N5O4S/c1-12(2)11-27-19(26)28-18-21-14-15(20)22-17(29-9-8-25)23-16(14)24(18)10-13-6-4-3-5-7-13/h3-7,12,25H,8-11H2,1-2H3,(H2,20,22,23)