3-[[2,6-bis(methylamino)purin-9-yl]-octoxysulfanylcarbonyloxy-methoxy]propyl octoxysulfanylmethanoate

Systemtic Name: 3-[[2,6-bis(methylamino)purin-9-yl]-octoxysulfanylcarbonyloxy-methoxy]propyl octoxysulfanylmethanoate Openeye Name: 3-[[2,6-bis(methylamino)purin-9-yl]-octoxysulfanylcarbonyloxy-methoxy]propyl octoxysulfanylformate CAS Name: (octoxythio)formic acid 3-[[2,6-bis(methylamino)-9-purinyl]-[(octoxythio)-oxomethoxy]methoxy]propyl ester IUPAC Name: 3-[[2,6-bis(methylamino)purin-9-yl]-octoxysulfanylcarbonyloxymethoxy]propyl octoxysulfanylformate Traditional Name: (octoxythio)formic acid 3-[[2,6-bis(methylamino)purin-9-yl]-(octoxythio)carbonyloxy-methoxy]propyl ester Formula: C29H50N6O7S2 MolecularWeight: 658.8733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOSC(=O)OCCCOC(N1C=NC2=C1N=C(N=C2NC)NC)OC(=O)SOCCCCCCCC

Isomeric SMILES

CCCCCCCCOSC(=O)OCCCOC(N1C=NC2=C1N=C(N=C2NC)NC)OC(=O)SOCCCCCCCC

InChI

InChI=1S/C29H50N6O7S2/c1-5-7-9-11-13-15-20-40-43-28(36)39-19-17-18-38-27(42-29(37)44-41-21-16-14-12-10-8-6-2)35-22-32-23-24(30-3)33-26(31-4)34-25(23)35/h22,27H,5-21H2,1-4H3,(H2,30,31,33,34)