hexyl 3-[[9-(hydroxymethyl)-6-methylsulfanyl-purin-2-yl]amino]oxypropyl carbonate

Systemtic Name: hexyl 3-[[9-(hydroxymethyl)-6-methylsulfanyl-purin-2-yl]amino]oxypropyl carbonate Openeye Name: hexyl 3-[[9-(hydroxymethyl)-6-methylsulfanyl-purin-2-yl]amino]oxypropyl carbonate CAS Name: carbonic acid hexyl 3-[[9-(hydroxymethyl)-6-(methylthio)-2-purinyl]amino]oxypropyl ester IUPAC Name: hexyl 3-[[9-(hydroxymethyl)-6-methylsulfanylpurin-2-yl]amino]oxypropyl carbonate Traditional Name: carbonic acid hexyl 3-[[9-methylol-6-(methylthio)purin-2-yl]amino]oxypropyl ester Formula: C17H27N5O5S MolecularWeight: 413.49178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)OCCCONC1=NC2=C(C(=N1)SC)N=CN2CO

Isomeric SMILES

CCCCCCOC(=O)OCCCONC1=NC2=C(C(=N1)SC)N=CN2CO

InChI

InChI=1S/C17H27N5O5S/c1-3-4-5-6-8-25-17(24)26-9-7-10-27-21-16-19-14-13(15(20-16)28-2)18-11-22(14)12-23/h11,23H,3-10,12H2,1-2H3,(H,19,20,21)