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

Systemtic Name: [6-azanyl-2-(2-hydroxyethylsulfanyl)-9-(phenylmethyl)purin-8-yl] propan-2-yl carbonate Openeye Name: [6-amino-9-benzyl-2-(2-hydroxyethylsulfanyl)purin-8-yl] isopropyl carbonate CAS Name: carbonic acid [6-amino-2-(2-hydroxyethylthio)-9-(phenylmethyl)-8-purinyl] propan-2-yl ester IUPAC Name: [6-amino-9-benzyl-2-(2-hydroxyethylsulfanyl)purin-8-yl] propan-2-yl carbonate Traditional Name: carbonic acid [6-amino-9-benzyl-2-(2-hydroxyethylthio)purin-8-yl] isopropyl ester Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4S/c1-11(2)26-18(25)27-17-20-13-14(19)21-16(28-9-8-24)22-15(13)23(17)10-12-6-4-3-5-7-12/h3-7,11,24H,8-10H2,1-2H3,(H2,19,21,22)