[6-azanyl-2-(2-ethoxycarbonyloxyethylsulfanyl)-9-(phenylmethyl)purin-8-yl] ethyl carbonate

Systemtic Name: [6-azanyl-2-(2-ethoxycarbonyloxyethylsulfanyl)-9-(phenylmethyl)purin-8-yl] ethyl carbonate Openeye Name: [6-amino-9-benzyl-2-(2-ethoxycarbonyloxyethylsulfanyl)purin-8-yl] ethyl carbonate CAS Name: carbonic acid [6-amino-2-(2-ethoxycarbonyloxyethylthio)-9-(phenylmethyl)-8-purinyl] ethyl ester IUPAC Name: [6-amino-9-benzyl-2-(2-ethoxycarbonyloxyethylsulfanyl)purin-8-yl] ethyl carbonate Traditional Name: carbonic acid [6-amino-9-benzyl-2-(2-carbethoxyoxyethylthio)purin-8-yl] ethyl ester Formula: C20H23N5O6S MolecularWeight: 461.49152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OCCSC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)OC(=O)OCC

Isomeric SMILES

CCOC(=O)OCCSC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)OC(=O)OCC

InChI

InChI=1S/C20H23N5O6S/c1-3-28-19(26)30-10-11-32-17-23-15(21)14-16(24-17)25(12-13-8-6-5-7-9-13)18(22-14)31-20(27)29-4-2/h5-9H,3-4,10-12H2,1-2H3,(H2,21,23,24)