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

Systemtic Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-phenoxy-purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-phenoxy-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-phenoxypurine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-phenoxypurine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-1,3-dimethyl-8-phenoxy-xanthine Formula: C20H17BrN4O3 MolecularWeight: 441.27798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3)CC4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H17BrN4O3/c1-23-17-16(18(26)24(2)20(23)27)25(12-13-8-10-14(21)11-9-13)19(22-17)28-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3