7-[3-[(2-bromophenyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[(2-bromophenyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(2-bromoanilino)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(2-bromoanilino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(2-bromoanilino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(2-bromoanilino)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C16H18BrN5O3 MolecularWeight: 408.24982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNC3=CC=CC=C3Br)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNC3=CC=CC=C3Br)O

InChI

InChI=1S/C16H18BrN5O3/c1-20-14-13(15(24)21(2)16(20)25)22(9-19-14)8-10(23)7-18-12-6-4-3-5-11(12)17/h3-6,9-10,18,23H,7-8H2,1-2H3