7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-purine-2,6-dione

Systemtic Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(2-oxo-2-thiophen-2-ylethyl)sulfanylpurine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-8-[[2-keto-2-(2-thienyl)ethyl]thio]-1,3-dimethyl-xanthine Formula: C20H17FN4O3S2 MolecularWeight: 444.502383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)C3=CC=CS3)CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)C3=CC=CS3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C20H17FN4O3S2/c1-23-17-16(18(27)24(2)20(23)28)25(10-12-5-7-13(21)8-6-12)19(22-17)30-11-14(26)15-4-3-9-29-15/h3-9H,10-11H2,1-2H3