8-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-7-ethyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-7-ethyl-1,3-dimethyl-xanthine Formula: C17H17ClN4O3S MolecularWeight: 392.85988

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H17ClN4O3S/c1-4-22-13-14(20(2)17(25)21(3)15(13)24)19-16(22)26-9-12(23)10-5-7-11(18)8-6-10/h5-8H,4,9H2,1-3H3