1,3-dimethyl-7-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(2-thienyl)ethyl]-8-thioxo-9H-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-oxo-2-thiophen-2-ylethyl)-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-oxo-2-thiophen-2-ylethyl)-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[2-keto-2-(2-thienyl)ethyl]-1,3-dimethyl-8-thioxo-9H-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)N(C(=S)N2)CC(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

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