2-[2-(2-azanyl-6-methylsulfanyl-purin-9-yl)ethyl-(2-hydroxyethyl)amino]ethanol

Systemtic Name: 2-[2-(2-azanyl-6-methylsulfanyl-purin-9-yl)ethyl-(2-hydroxyethyl)amino]ethanol Openeye Name: 2-[2-(2-amino-6-methylsulfanyl-purin-9-yl)ethyl-(2-hydroxyethyl)amino]ethanol CAS Name: 2-[2-[2-amino-6-(methylthio)-9-purinyl]ethyl-(2-hydroxyethyl)amino]ethanol IUPAC Name: 2-[2-(2-amino-6-methylsulfanylpurin-9-yl)ethyl-(2-hydroxyethyl)amino]ethanol Traditional Name: 2-[2-[2-amino-6-(methylthio)purin-9-yl]ethyl-(2-hydroxyethyl)amino]ethanol Formula: C12H20N6O2S MolecularWeight: 312.3912

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC2=C1N=CN2CCN(CCO)CCO)N

Isomeric SMILES

CSC1=NC(=NC2=C1N=CN2CCN(CCO)CCO)N

InChI

InChI=1S/C12H20N6O2S/c1-21-11-9-10(15-12(13)16-11)18(8-14-9)3-2-17(4-6-19)5-7-20/h8,19-20H,2-7H2,1H3,(H2,13,15,16)