1-[(4-bromophenyl)methyl]-8-chloranyl-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 1-[(4-bromophenyl)methyl]-8-chloranyl-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 1-[(4-bromophenyl)methyl]-8-chloro-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 1-[(4-bromophenyl)methyl]-8-chloro-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 1-[(4-bromophenyl)methyl]-8-chloro-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 1-(4-bromobenzyl)-8-chloro-7-(2-chlorobenzyl)-3-methyl-xanthine Formula: C20H15BrCl2N4O2 MolecularWeight: 494.1687

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Br)N(C(=N2)Cl)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Br)N(C(=N2)Cl)CC4=CC=CC=C4Cl

InChI

InChI=1S/C20H15BrCl2N4O2/c1-25-17-16(26(19(23)24-17)11-13-4-2-3-5-15(13)22)18(28)27(20(25)29)10-12-6-8-14(21)9-7-12/h2-9H,10-11H2,1H3