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

Systemtic Name: 7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-8-(diethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(4-bromophenyl)-2-oxo-ethyl]-8-(diethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(4-bromophenyl)-2-oxoethyl]-8-(diethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(4-bromophenyl)-2-oxoethyl]-8-(diethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(4-bromophenyl)-2-keto-ethyl]-8-(diethylamino)-1,3-dimethyl-xanthine Formula: C19H22BrN5O3 MolecularWeight: 448.31368

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CC(=O)C3=CC=C(C=C3)Br)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1CC(=O)C3=CC=C(C=C3)Br)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H22BrN5O3/c1-5-24(6-2)18-21-16-15(17(27)23(4)19(28)22(16)3)25(18)11-14(26)12-7-9-13(20)10-8-12/h7-10H,5-6,11H2,1-4H3