3-[(6-methylsulfanylpurin-9-yl)amino]pentane-1,5-diol hydrochloride

Systemtic Name: 3-[(6-methylsulfanylpurin-9-yl)amino]pentane-1,5-diol hydrochloride Openeye Name: 3-[(6-methylsulfanylpurin-9-yl)amino]pentane-1,5-diol hydrochloride CAS Name: 3-[[6-(methylthio)-9-purinyl]amino]pentane-1,5-diol hydrochloride IUPAC Name: 3-[(6-methylsulfanylpurin-9-yl)amino]pentane-1,5-diol hydrochloride Traditional Name: 3-[[6-(methylthio)purin-9-yl]amino]pentane-1,5-diol hydrochloride Formula: C11H18ClN5O2S MolecularWeight: 319.81092

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1N=CN2NC(CCO)CCO.Cl

Isomeric SMILES

CSC1=NC=NC2=C1N=CN2NC(CCO)CCO.Cl

InChI

InChI=1S/C11H17N5O2S.ClH/c1-19-11-9-10(12-6-13-11)16(7-14-9)15-8(2-4-17)3-5-18;/h6-8,15,17-18H,2-5H2,1H3;1H