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

Systemtic Name: 8-chloranyl-7-[[4-[(2-chlorophenyl)methylsulfanyl]phenyl]methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-chloro-7-[[4-[(2-chlorophenyl)methylsulfanyl]phenyl]methyl]-3-methyl-purine-2,6-dione CAS Name: 8-chloro-7-[[4-[(2-chlorophenyl)methylthio]phenyl]methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-chloro-7-[[4-[(2-chlorophenyl)methylsulfanyl]phenyl]methyl]-3-methylpurine-2,6-dione Traditional Name: 8-chloro-7-[4-[(2-chlorobenzyl)thio]benzyl]-3-methyl-xanthine Formula: C20H16Cl2N4O2S MolecularWeight: 447.33764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Cl)CC3=CC=C(C=C3)SCC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Cl)CC3=CC=C(C=C3)SCC4=CC=CC=C4Cl

InChI

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