8-bromanyl-1,3-dimethyl-9-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]purine-2,6-dione Openeye Name: 9-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-8-bromo-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 9-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-8-bromo-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[2-(4-benzylpiperazino)-2-keto-ethyl]-8-bromo-1,3-dimethyl-xanthine Formula: C20H23BrN6O3 MolecularWeight: 475.33902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)N3CCN(CC3)CC4=CC=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)N3CCN(CC3)CC4=CC=CC=C4)Br

InChI

InChI=1S/C20H23BrN6O3/c1-23-17-16(18(29)24(2)20(23)30)22-19(21)27(17)13-15(28)26-10-8-25(9-11-26)12-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3