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

Systemtic Name: [6-azanyl-2-(2-hydroxyethylsulfanyl)-9-(phenylmethyl)purin-8-yl] ethyl carbonate Openeye Name: [6-amino-9-benzyl-2-(2-hydroxyethylsulfanyl)purin-8-yl] ethyl carbonate CAS Name: carbonic acid [6-amino-2-(2-hydroxyethylthio)-9-(phenylmethyl)-8-purinyl] ethyl ester IUPAC Name: [6-amino-9-benzyl-2-(2-hydroxyethylsulfanyl)purin-8-yl] ethyl carbonate Traditional Name: carbonic acid [6-amino-9-benzyl-2-(2-hydroxyethylthio)purin-8-yl] ethyl ester Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4S/c1-2-25-17(24)26-16-19-12-13(18)20-15(27-9-8-23)21-14(12)22(16)10-11-6-4-3-5-7-11/h3-7,23H,2,8-10H2,1H3,(H2,18,20,21)