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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O4S/c1-2-3-10-27-19(26)28-18-21-14-15(20)22-17(29-11-9-25)23-16(14)24(18)12-13-7-5-4-6-8-13/h4-8,25H,2-3,9-12H2,1H3,(H2,20,22,23)