[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-phenoxycarbonyloxy-propyl] phenyl carbonate

Systemtic Name: [2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-phenoxycarbonyloxy-propyl] phenyl carbonate Openeye Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phenoxycarbonyloxy-propyl] phenyl carbonate CAS Name: carbonic acid [2-[[2-chloro-6-(methylamino)-9-purinyl]methyl]-3-[oxo(phenoxy)methoxy]propyl] phenyl ester IUPAC Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phenoxycarbonyloxypropyl] phenyl carbonate Traditional Name: carbonic acid [2-(carbophenoxyoxymethyl)-3-[2-chloro-6-(methylamino)purin-9-yl]propyl] phenyl ester Formula: C24H22ClN5O6 MolecularWeight: 511.91438

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2CC(COC(=O)OC3=CC=CC=C3)COC(=O)OC4=CC=CC=C4)Cl

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2CC(COC(=O)OC3=CC=CC=C3)COC(=O)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H22ClN5O6/c1-26-20-19-21(29-22(25)28-20)30(15-27-19)12-16(13-33-23(31)35-17-8-4-2-5-9-17)14-34-24(32)36-18-10-6-3-7-11-18/h2-11,15-16H,12-14H2,1H3,(H,26,28,29)