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

Systemtic Name: 8-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(2,4-dichlorophenyl)methylthio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(2,4-dichlorobenzyl)thio]-1,3,7-trimethyl-xanthine Formula: C15H14Cl2N4O2S MolecularWeight: 385.26826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC3=C(C=C(C=C3)Cl)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC3=C(C=C(C=C3)Cl)Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H14Cl2N4O2S/c1-19-11-12(20(2)15(23)21(3)13(11)22)18-14(19)24-7-8-4-5-9(16)6-10(8)17/h4-6H,7H2,1-3H3