[2-(6-aminopurin-9-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinothioyl]oxymethyl propan-2-yl carbonate

Systemtic Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinothioyl]oxymethyl propan-2-yl carbonate Openeye Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(isopropoxycarbonyloxymethoxy)phosphinothioyl]oxymethyl isopropyl carbonate CAS Name: carbonic acid [2-(6-aminopurin-9-yl)ethoxymethyl-[[oxo(propan-2-yloxy)methoxy]methoxy]phosphinothioyl]oxymethyl propan-2-yl ester IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinothioyl]oxymethyl propan-2-yl carbonate Traditional Name: carbonic acid [2-adenin-9-ylethoxymethyl(isopropoxycarbonyloxymethoxy)thiophosphoryl]oxymethyl isopropyl ester Formula: C18H28N5O9PS MolecularWeight: 521.481781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)OCOP(=S)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)OCOP(=S)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(C)C

InChI

InChI=1S/C18H28N5O9PS/c1-12(2)31-17(24)27-9-29-33(34,30-10-28-18(25)32-13(3)4)11-26-6-5-23-8-22-14-15(19)20-7-21-16(14)23/h7-8,12-13H,5-6,9-11H2,1-4H3,(H2,19,20,21)