3-(6-methylsulfanylpurin-9-yl)propanoic acid

Systemtic Name: 3-(6-methylsulfanylpurin-9-yl)propanoic acid Openeye Name: 3-(6-methylsulfanylpurin-9-yl)propanoic acid CAS Name: 3-[6-(methylthio)-9-purinyl]propanoic acid IUPAC Name: 3-(6-methylsulfanylpurin-9-yl)propanoic acid Traditional Name: 3-[6-(methylthio)purin-9-yl]propionic acid Formula: C9H10N4O2S MolecularWeight: 238.2663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1N=CN2CCC(=O)O

Isomeric SMILES

CSC1=NC=NC2=C1N=CN2CCC(=O)O

InChI

InChI=1S/C9H10N4O2S/c1-16-9-7-8(10-4-11-9)13(5-12-7)3-2-6(14)15/h4-5H,2-3H2,1H3,(H,14,15)