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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Cl)Cl)N(C1=O)CC4=CC=CC=C4Br

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Cl)Cl)N(C1=O)CC4=CC=CC=C4Br

InChI

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