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

Systemtic Name: 7-butyl-1,3-dimethyl-8-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 7-butyl-1,3-dimethyl-8-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione IUPAC Name: 7-butyl-1,3-dimethyl-8-(2-oxo-2-thiophen-2-ylethyl)sulfanylpurine-2,6-dione Traditional Name: 7-butyl-8-[[2-keto-2-(2-thienyl)ethyl]thio]-1,3-dimethyl-xanthine Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)C3=CC=CS3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)C3=CC=CS3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H20N4O3S2/c1-4-5-8-21-13-14(19(2)17(24)20(3)15(13)23)18-16(21)26-10-11(22)12-7-6-9-25-12/h6-7,9H,4-5,8,10H2,1-3H3