7-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylsulfanyl]-3-methyl-9H-purine-2,8-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylsulfanyl]-3-methyl-9H-purine-2,8-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylsulfanyl]-3-methyl-9H-purine-2,8-dione CAS Name: 7-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylthio]-3-methyl-9H-purine-2,8-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylsulfanyl]-3-methyl-9H-purine-2,8-dione Traditional Name: 7-(4-chlorobenzyl)-6-[(4-chlorobenzyl)thio]-3-methyl-9H-purine-2,8-quinone Formula: C20H16Cl2N4O2S MolecularWeight: 447.33764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC1=O)SCC3=CC=C(C=C3)Cl)N(C(=O)N2)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=NC1=O)SCC3=CC=C(C=C3)Cl)N(C(=O)N2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16Cl2N4O2S/c1-25-17-16(26(20(28)23-17)10-12-2-6-14(21)7-3-12)18(24-19(25)27)29-11-13-4-8-15(22)9-5-13/h2-9H,10-11H2,1H3,(H,23,28)