3-(6-methylsulfanyl-2-oxidanylidene-3-propyl-7H-purin-8-yl)propanoic acid

Systemtic Name: 3-(6-methylsulfanyl-2-oxidanylidene-3-propyl-7H-purin-8-yl)propanoic acid Openeye Name: 3-(6-methylsulfanyl-2-oxo-3-propyl-7H-purin-8-yl)propanoic acid CAS Name: 3-[6-(methylthio)-2-oxo-3-propyl-7H-purin-8-yl]propanoic acid IUPAC Name: 3-(6-methylsulfanyl-2-oxo-3-propyl-7H-purin-8-yl)propanoic acid Traditional Name: 3-[2-keto-6-(methylthio)-3-propyl-7H-purin-8-yl]propionic acid Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)SC)NC(=N2)CCC(=O)O

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)SC)NC(=N2)CCC(=O)O

InChI

InChI=1S/C12H16N4O3S/c1-3-6-16-10-9(11(20-2)15-12(16)19)13-7(14-10)4-5-8(17)18/h3-6H2,1-2H3,(H,13,14)(H,17,18)