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

Systemtic Name: 1-[(3-bromophenyl)methyl]-8-chloranyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(3-bromophenyl)methyl]-8-chloro-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(3-bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(3-bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3-bromobenzyl)-8-chloro-3,7-dimethyl-xanthine Formula: C14H12BrClN4O2 MolecularWeight: 383.62768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CC3=CC(=CC=C3)Br)C

Isomeric SMILES

CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C14H12BrClN4O2/c1-18-10-11(17-13(18)16)19(2)14(22)20(12(10)21)7-8-4-3-5-9(15)6-8/h3-6H,7H2,1-2H3