3-[[3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methylthio]propanoic acid IUPAC Name: 3-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2,6-diketo-3-methyl-7H-purin-8-yl)methylthio]propionic acid Formula: C10H12N4O4S MolecularWeight: 284.29168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)CSCCC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)CSCCC(=O)O

InChI

InChI=1S/C10H12N4O4S/c1-14-8-7(9(17)13-10(14)18)11-5(12-8)4-19-3-2-6(15)16/h2-4H2,1H3,(H,11,12)(H,15,16)(H,13,17,18)