[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-(butoxycarbonyloxymethoxy)phosphoryl]oxymethyl butyl carbonate

Systemtic Name: [1-(6-aminopurin-9-yl)propan-2-yloxymethyl-(butoxycarbonyloxymethoxy)phosphoryl]oxymethyl butyl carbonate Openeye Name: [[2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(butoxycarbonyloxymethoxy)phosphoryl]oxymethyl butyl carbonate CAS Name: carbonic acid [1-(6-aminopurin-9-yl)propan-2-yloxymethyl-[[butoxy(oxo)methoxy]methoxy]phosphoryl]oxymethyl butyl ester IUPAC Name: [1-(6-aminopurin-9-yl)propan-2-yloxymethyl-(butoxycarbonyloxymethoxy)phosphoryl]oxymethyl butyl carbonate Traditional Name: carbonic acid [(2-adenin-9-yl-1-methyl-ethoxy)methyl-(butoxycarbonyloxymethoxy)phosphoryl]oxymethyl butyl ester Formula: C21H34N5O10P MolecularWeight: 547.495921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OCOP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)OCOP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OCCCC

InChI

InChI=1S/C21H34N5O10P/c1-4-6-8-30-20(27)32-13-35-37(29,36-14-33-21(28)31-9-7-5-2)15-34-16(3)10-26-12-25-17-18(22)23-11-24-19(17)26/h11-12,16H,4-10,13-15H2,1-3H3,(H2,22,23,24)