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

Systemtic Name: 7-[4-(4-bromophenyl)-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-(4-bromophenyl)-4-oxo-butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-(4-bromophenyl)-4-oxobutyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-(4-bromophenyl)-4-oxobutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-(4-bromophenyl)-4-keto-butyl]-1,3-dimethyl-xanthine Formula: C17H17BrN4O3 MolecularWeight: 405.24588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN4O3/c1-20-15-14(16(24)21(2)17(20)25)22(10-19-15)9-3-4-13(23)11-5-7-12(18)8-6-11/h5-8,10H,3-4,9H2,1-2H3