3-[[6-(methylamino)purin-9-yl]-pentoxycarbonyloxy-methoxy]propyl pentyl carbonate

Systemtic Name: 3-[[6-(methylamino)purin-9-yl]-pentoxycarbonyloxy-methoxy]propyl pentyl carbonate Openeye Name: 3-[[6-(methylamino)purin-9-yl]-pentoxycarbonyloxy-methoxy]propyl pentyl carbonate CAS Name: carbonic acid 3-[[6-(methylamino)-9-purinyl]-[oxo(pentoxy)methoxy]methoxy]propyl pentyl ester IUPAC Name: 3-[[6-(methylamino)purin-9-yl]-pentoxycarbonyloxymethoxy]propyl pentyl carbonate Traditional Name: carbonic acid 3-[amoxycarbonyloxy-[6-(methylamino)purin-9-yl]methoxy]propyl amyl ester Formula: C22H35N5O7 MolecularWeight: 481.5426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)OCCCOC(N1C=NC2=C1N=CN=C2NC)OC(=O)OCCCCC

Isomeric SMILES

CCCCCOC(=O)OCCCOC(N1C=NC2=C1N=CN=C2NC)OC(=O)OCCCCC

InChI

InChI=1S/C22H35N5O7/c1-4-6-8-11-31-21(28)32-14-10-13-30-20(34-22(29)33-12-9-7-5-2)27-16-26-17-18(23-3)24-15-25-19(17)27/h15-16,20H,4-14H2,1-3H3,(H,23,24,25)