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

Systemtic Name: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(4-bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-bromobenzyl)-3,7-dimethyl-xanthine Formula: C14H13BrN4O2 MolecularWeight: 349.18262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Br

InChI

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