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

Systemtic Name: 1,3,7-trimethyl-8-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(2-oxo-2-thiophen-2-ylethyl)sulfanylpurine-2,6-dione Traditional Name: 8-[[2-keto-2-(2-thienyl)ethyl]thio]-1,3,7-trimethyl-xanthine Formula: C14H14N4O3S2 MolecularWeight: 350.41596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)C3=CC=CS3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)C3=CC=CS3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H14N4O3S2/c1-16-10-11(17(2)14(21)18(3)12(10)20)15-13(16)23-7-8(19)9-5-4-6-22-9/h4-6H,7H2,1-3H3