8-[(2,4-dichlorophenyl)methylsulfanyl]-7-ethyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(2,4-dichlorophenyl)methylsulfanyl]-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(2,4-dichlorophenyl)methylsulfanyl]-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(2,4-dichlorophenyl)methylthio]-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(2,4-dichlorophenyl)methylsulfanyl]-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(2,4-dichlorobenzyl)thio]-7-ethyl-1,3-dimethyl-xanthine Formula: C16H16Cl2N4O2S MolecularWeight: 399.29484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC3=C(C=C(C=C3)Cl)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC3=C(C=C(C=C3)Cl)Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H16Cl2N4O2S/c1-4-22-12-13(20(2)16(24)21(3)14(12)23)19-15(22)25-8-9-5-6-10(17)7-11(9)18/h5-7H,4,8H2,1-3H3