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

Systemtic Name: 7-[(2-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-bromobenzyl)-1,3-dimethyl-xanthine Formula: C14H13BrN4O2 MolecularWeight: 349.18262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3Br

InChI

InChI=1S/C14H13BrN4O2/c1-17-12-11(13(20)18(2)14(17)21)19(8-16-12)7-9-5-3-4-6-10(9)15/h3-6,8H,7H2,1-2H3