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

Systemtic Name: 7-[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(5-chloro-2-thienyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(5-chloro-2-thiophenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(5-chloro-2-thienyl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C13H11ClN4O3S MolecularWeight: 338.76944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN4O3S/c1-16-11-10(12(20)17(2)13(16)21)18(6-15-11)5-7(19)8-3-4-9(14)22-8/h3-4,6H,5H2,1-2H3