1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-9-ethyl-purin-6-one

Systemtic Name: 1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-9-ethyl-purin-6-one Openeye Name: 1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-9-ethyl-purin-6-one CAS Name: 1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylthio]-9-ethyl-6-purinone IUPAC Name: 1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-9-ethylpurin-6-one Traditional Name: 1-(4-chlorophenyl)-2-[(3,4-dichlorobenzyl)thio]-9-ethyl-purin-6-one Formula: C20H15Cl3N4OS MolecularWeight: 465.7833

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H15Cl3N4OS/c1-2-26-11-24-17-18(26)25-20(29-10-12-3-8-15(22)16(23)9-12)27(19(17)28)14-6-4-13(21)5-7-14/h3-9,11H,2,10H2,1H3