(2R)-3-(6-azanyl-8-methylsulfanyl-7H-purin-3-ium-3-yl)propane-1,2-diol

Systemtic Name: (2R)-3-(6-azanyl-8-methylsulfanyl-7H-purin-3-ium-3-yl)propane-1,2-diol Openeye Name: (2R)-3-(6-amino-8-methylsulfanyl-7H-purin-3-ium-3-yl)propane-1,2-diol CAS Name: (2R)-3-[6-amino-8-(methylthio)-7H-purin-3-ium-3-yl]propane-1,2-diol IUPAC Name: (2R)-3-(6-amino-8-methylsulfanyl-7H-purin-3-ium-3-yl)propane-1,2-diol Traditional Name: (2R)-3-[6-amino-8-(methylthio)-7H-purin-3-ium-3-yl]propane-1,2-diol Formula: C9H14N5O2S+ MolecularWeight: 256.30476

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=[N+](C=NC(=C2N1)N)CC(CO)O

Isomeric SMILES

CSC1=NC2=[N+](C=NC(=C2N1)N)C[C@H](CO)O

InChI

InChI=1S/C9H13N5O2S/c1-17-9-12-6-7(10)11-4-14(8(6)13-9)2-5(16)3-15/h4-5,15-16H,2-3H2,1H3,(H2,10,12,13)/p+1/t5-/m1/s1