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

Systemtic Name: 2-azanyl-3-(6-methylsulfanylpurin-9-yl)propanoic acid Openeye Name: 2-amino-3-(6-methylsulfanylpurin-9-yl)propanoic acid CAS Name: 2-amino-3-[6-(methylthio)-9-purinyl]propanoic acid IUPAC Name: 2-amino-3-(6-methylsulfanylpurin-9-yl)propanoic acid Traditional Name: 2-amino-3-[6-(methylthio)purin-9-yl]propionic acid Formula: C9H11N5O2S MolecularWeight: 253.28094

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1N=CN2CC(C(=O)O)N

Isomeric SMILES

CSC1=NC=NC2=C1N=CN2CC(C(=O)O)N

InChI

InChI=1S/C9H11N5O2S/c1-17-8-6-7(11-3-12-8)14(4-13-6)2-5(10)9(15)16/h3-5H,2,10H2,1H3,(H,15,16)