7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione

Systemtic Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(3-pyridylmethoxy)purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(3-pyridinylmethoxy)purine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-1,3-dimethyl-8-(3-pyridylmethoxy)xanthine Formula: C20H18BrN5O3 MolecularWeight: 456.29262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC3=CN=CC=C3)CC4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC3=CN=CC=C3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H18BrN5O3/c1-24-17-16(18(27)25(2)20(24)28)26(11-13-5-7-15(21)8-6-13)19(23-17)29-12-14-4-3-9-22-10-14/h3-10H,11-12H2,1-2H3