7-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(5-bromo-2-thienyl)-2-oxo-ethyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(5-bromo-2-thiophenyl)-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(5-bromo-2-thienyl)-2-keto-ethyl]-8-chloro-1,3-dimethyl-xanthine Formula: C13H10BrClN4O3S MolecularWeight: 417.6655

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C13H10BrClN4O3S/c1-17-10-9(11(21)18(2)13(17)22)19(12(15)16-10)5-6(20)7-3-4-8(14)23-7/h3-4H,5H2,1-2H3