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

Systemtic Name: 7-[2-[(4-bromophenyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(4-bromoanilino)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(4-bromoanilino)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(4-bromoanilino)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(4-bromoanilino)ethyl]-1,3-dimethyl-xanthine Formula: C15H16BrN5O2 MolecularWeight: 378.22384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=CC=C(C=C3)Br

InChI

InChI=1S/C15H16BrN5O2/c1-19-13-12(14(22)20(2)15(19)23)21(9-18-13)8-7-17-11-5-3-10(16)4-6-11/h3-6,9,17H,7-8H2,1-2H3