3-[(2-azanyl-6-methylsulfanyl-purin-9-yl)-octoxycarbonyloxy-methoxy]propyl octyl carbonate

Systemtic Name: 3-[(2-azanyl-6-methylsulfanyl-purin-9-yl)-octoxycarbonyloxy-methoxy]propyl octyl carbonate Openeye Name: 3-[(2-amino-6-methylsulfanyl-purin-9-yl)-octoxycarbonyloxy-methoxy]propyl octyl carbonate CAS Name: carbonic acid 3-[[2-amino-6-(methylthio)-9-purinyl]-[octoxy(oxo)methoxy]methoxy]propyl octyl ester IUPAC Name: 3-[(2-amino-6-methylsulfanylpurin-9-yl)-octoxycarbonyloxymethoxy]propyl octyl carbonate Traditional Name: carbonic acid 3-[[2-amino-6-(methylthio)purin-9-yl]-octoxycarbonyloxy-methoxy]propyl octyl ester Formula: C28H47N5O7S MolecularWeight: 597.76708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)OCCCOC(N1C=NC2=C1N=C(N=C2SC)N)OC(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)OCCCOC(N1C=NC2=C1N=C(N=C2SC)N)OC(=O)OCCCCCCCC

InChI

InChI=1S/C28H47N5O7S/c1-4-6-8-10-12-14-17-37-27(34)38-20-16-19-36-26(40-28(35)39-18-15-13-11-9-7-5-2)33-21-30-22-23(33)31-25(29)32-24(22)41-3/h21,26H,4-20H2,1-3H3,(H2,29,31,32)