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

Systemtic Name: 7-[(3-bromophenyl)methyl]-8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-8-[(2-chlorophenyl)methylthio]-3-methylpurine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-8-[(2-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-[(2-chlorobenzyl)thio]-3-methyl-xanthine Formula: C20H16BrClN4O2S MolecularWeight: 491.78864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3Cl)CC4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3Cl)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C20H16BrClN4O2S/c1-25-17-16(18(27)24-19(25)28)26(10-12-5-4-7-14(21)9-12)20(23-17)29-11-13-6-2-3-8-15(13)22/h2-9H,10-11H2,1H3,(H,24,27,28)