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

Systemtic Name: 8-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[(3,4-dichlorophenyl)methylthio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(3,4-dichlorobenzyl)thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C14H12Cl2N4O2S MolecularWeight: 371.24168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C14H12Cl2N4O2S/c1-19-11-10(12(21)20(2)14(19)22)17-13(18-11)23-6-7-3-4-8(15)9(16)5-7/h3-5H,6H2,1-2H3,(H,17,18)