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

Systemtic Name: 7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[2-(4-bromophenyl)-2-oxo-ethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-[2-(4-bromophenyl)-2-keto-ethyl]-1,3-dimethyl-8-(4-phenylpiperazino)xanthine Formula: C25H25BrN6O3 MolecularWeight: 537.4084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H25BrN6O3/c1-28-22-21(23(34)29(2)25(28)35)32(16-20(33)17-8-10-18(26)11-9-17)24(27-22)31-14-12-30(13-15-31)19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3