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

Systemtic Name: 3-[(6-methylsulfanylpurin-9-yl)amino]pentane-1,5-diol Openeye Name: 3-[(6-methylsulfanylpurin-9-yl)amino]pentane-1,5-diol CAS Name: 3-[[6-(methylthio)-9-purinyl]amino]pentane-1,5-diol IUPAC Name: 3-[(6-methylsulfanylpurin-9-yl)amino]pentane-1,5-diol Traditional Name: 3-[[6-(methylthio)purin-9-yl]amino]pentane-1,5-diol Formula: C11H17N5O2S MolecularWeight: 283.34998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N5O2S/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