3-(6-methyl-8-methylsulfanyl-2-oxidanylidene-1H-purin-9-yl)propanoic acid

Systemtic Name: 3-(6-methyl-8-methylsulfanyl-2-oxidanylidene-1H-purin-9-yl)propanoic acid Openeye Name: 3-(6-methyl-8-methylsulfanyl-2-oxo-1H-purin-9-yl)propanoic acid CAS Name: 3-[6-methyl-8-(methylthio)-2-oxo-1H-purin-9-yl]propanoic acid IUPAC Name: 3-(6-methyl-8-methylsulfanyl-2-oxo-1H-purin-9-yl)propanoic acid Traditional Name: 3-[2-keto-6-methyl-8-(methylthio)-1H-purin-9-yl]propionic acid Formula: C10H12N4O3S MolecularWeight: 268.29228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=O)N1)N(C(=N2)SC)CCC(=O)O

Isomeric SMILES

CC1=C2C(=NC(=O)N1)N(C(=N2)SC)CCC(=O)O

InChI

InChI=1S/C10H12N4O3S/c1-5-7-8(13-9(17)11-5)14(4-3-6(15)16)10(12-7)18-2/h3-4H2,1-2H3,(H,15,16)(H,11,13,17)