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

Systemtic Name: 7-[(3-bromophenyl)methyl]-8-ethoxy-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-8-ethoxy-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-8-ethoxy-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-8-ethoxy-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-ethoxy-1,3-dimethyl-xanthine Formula: C16H17BrN4O3 MolecularWeight: 393.23518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H17BrN4O3/c1-4-24-15-18-13-12(14(22)20(3)16(23)19(13)2)21(15)9-10-6-5-7-11(17)8-10/h5-8H,4,9H2,1-3H3