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

Systemtic Name: 8-bromanyl-3-methyl-7-(2-oxidanylidene-2-thiophen-2-yl-ethyl)purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-[2-oxo-2-(2-thienyl)ethyl]purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-(2-oxo-2-thiophen-2-ylethyl)purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-(2-oxo-2-thiophen-2-ylethyl)purine-2,6-dione Traditional Name: 8-bromo-7-[2-keto-2-(2-thienyl)ethyl]-3-methyl-xanthine Formula: C12H9BrN4O3S MolecularWeight: 369.19386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)C3=CC=CS3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)C3=CC=CS3

InChI

InChI=1S/C12H9BrN4O3S/c1-16-9-8(10(19)15-12(16)20)17(11(13)14-9)5-6(18)7-3-2-4-21-7/h2-4H,5H2,1H3,(H,15,19,20)