[6-azanyl-2-(2-hydroxyethylsulfanyl)-9-(phenylmethyl)purin-8-yl] methyl carbonate

Systemtic Name: [6-azanyl-2-(2-hydroxyethylsulfanyl)-9-(phenylmethyl)purin-8-yl] methyl carbonate Openeye Name: [6-amino-9-benzyl-2-(2-hydroxyethylsulfanyl)purin-8-yl] methyl carbonate CAS Name: carbonic acid [6-amino-2-(2-hydroxyethylthio)-9-(phenylmethyl)-8-purinyl] methyl ester IUPAC Name: [6-amino-9-benzyl-2-(2-hydroxyethylsulfanyl)purin-8-yl] methyl carbonate Traditional Name: carbonic acid [6-amino-9-benzyl-2-(2-hydroxyethylthio)purin-8-yl] methyl ester Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2N)SCCO

Isomeric SMILES

COC(=O)OC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2N)SCCO

InChI

InChI=1S/C16H17N5O4S/c1-24-16(23)25-15-18-11-12(17)19-14(26-8-7-22)20-13(11)21(15)9-10-5-3-2-4-6-10/h2-6,22H,7-9H2,1H3,(H2,17,19,20)