4-(1,3-dimethyl-6-oxidanylidene-2-sulfanylidene-7H-purin-8-yl)butanoic acid

Systemtic Name: 4-(1,3-dimethyl-6-oxidanylidene-2-sulfanylidene-7H-purin-8-yl)butanoic acid Openeye Name: 4-(1,3-dimethyl-6-oxo-2-thioxo-7H-purin-8-yl)butanoic acid CAS Name: 4-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)butanoic acid IUPAC Name: 4-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)butanoic acid Traditional Name: 4-(6-keto-1,3-dimethyl-2-thioxo-7H-purin-8-yl)butyric acid Formula: C11H14N4O3S MolecularWeight: 282.31886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=S)C)NC(=N2)CCCC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=S)C)NC(=N2)CCCC(=O)O

InChI

InChI=1S/C11H14N4O3S/c1-14-9-8(10(18)15(2)11(14)19)12-6(13-9)4-3-5-7(16)17/h3-5H2,1-2H3,(H,12,13)(H,16,17)