2-[1-(6-aminopurin-9-yl)-2-oxidanyl-ethoxy]-3-(2-hydroxyethylsulfanyl)propan-1-ol

Systemtic Name: 2-[1-(6-aminopurin-9-yl)-2-oxidanyl-ethoxy]-3-(2-hydroxyethylsulfanyl)propan-1-ol Openeye Name: 2-[1-(6-aminopurin-9-yl)-2-hydroxy-ethoxy]-3-(2-hydroxyethylsulfanyl)propan-1-ol CAS Name: 2-[1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-(2-hydroxyethylthio)-1-propanol IUPAC Name: 2-[1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-(2-hydroxyethylsulfanyl)propan-1-ol Traditional Name: 2-(1-adenin-9-yl-2-hydroxy-ethoxy)-3-(2-hydroxyethylthio)propan-1-ol Formula: C12H19N5O4S MolecularWeight: 329.37536

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C(CO)OC(CO)CSCCO

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C(CO)OC(CO)CSCCO

InChI

InChI=1S/C12H19N5O4S/c13-11-10-12(15-6-14-11)17(7-16-10)9(4-20)21-8(3-19)5-22-2-1-18/h6-9,18-20H,1-5H2,(H2,13,14,15)