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

Systemtic Name: 8-chloranyl-7-[2-(5-ethylthiophen-2-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(5-ethyl-2-thienyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-(5-ethyl-2-thiophenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-(5-ethyl-2-thienyl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C15H15ClN4O3S MolecularWeight: 366.8226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCC1=CC=C(S1)C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C15H15ClN4O3S/c1-4-8-5-6-10(24-8)9(21)7-20-11-12(17-14(20)16)18(2)15(23)19(3)13(11)22/h5-6H,4,7H2,1-3H3