1,3-dimethyl-8-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-7H-purine-2,6-dione Traditional Name: 8-[[2-keto-2-(2-thienyl)ethyl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C13H12N4O3S2 MolecularWeight: 336.38938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)C3=CC=CS3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)C3=CC=CS3

InChI

InChI=1S/C13H12N4O3S2/c1-16-10-9(11(19)17(2)13(16)20)14-12(15-10)22-6-7(18)8-4-3-5-21-8/h3-5H,6H2,1-2H3,(H,14,15)