3-(6-azanyl-2-methylsulfanyl-purin-9-yl)propane-1,2-diol

Systemtic Name: 3-(6-azanyl-2-methylsulfanyl-purin-9-yl)propane-1,2-diol Openeye Name: 3-(6-amino-2-methylsulfanyl-purin-9-yl)propane-1,2-diol CAS Name: 3-[6-amino-2-(methylthio)-9-purinyl]propane-1,2-diol IUPAC Name: 3-(6-amino-2-methylsulfanylpurin-9-yl)propane-1,2-diol Traditional Name: 3-[6-amino-2-(methylthio)purin-9-yl]propane-1,2-diol Formula: C9H13N5O2S MolecularWeight: 255.29682

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)N)N=CN2CC(CO)O

Isomeric SMILES

CSC1=NC2=C(C(=N1)N)N=CN2CC(CO)O

InChI

InChI=1S/C9H13N5O2S/c1-17-9-12-7(10)6-8(13-9)14(4-11-6)2-5(16)3-15/h4-5,15-16H,2-3H2,1H3,(H2,10,12,13)