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

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-(2-oxidanylidene-2-thiophen-2-yl-ethyl)purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-7-[2-oxo-2-(2-thienyl)ethyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-(2-oxo-2-thiophen-2-ylethyl)purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-(2-oxo-2-thiophen-2-ylethyl)purine-2,6-dione Traditional Name: 8-bromo-7-[2-keto-2-(2-thienyl)ethyl]-1,3-dimethyl-xanthine Formula: C13H11BrN4O3S MolecularWeight: 383.22044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrN4O3S/c1-16-10-9(11(20)17(2)13(16)21)18(12(14)15-10)6-7(19)8-4-3-5-22-8/h3-5H,6H2,1-2H3