7-[4-(4-bromophenyl)-4-oxidanylidene-butyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[4-(4-bromophenyl)-4-oxidanylidene-butyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-(4-bromophenyl)-4-oxo-butyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-(4-bromophenyl)-4-oxobutyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-(4-bromophenyl)-4-oxobutyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-(4-bromophenyl)-4-keto-butyl]-8-chloro-1,3-dimethyl-xanthine Formula: C17H16BrClN4O3 MolecularWeight: 439.69094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrClN4O3/c1-21-14-13(15(25)22(2)17(21)26)23(16(19)20-14)9-3-4-12(24)10-5-7-11(18)8-6-10/h5-8H,3-4,9H2,1-2H3