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

Systemtic Name: 7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[2-(4-bromophenyl)-2-oxo-ethyl]-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[2-(4-bromophenyl)-2-keto-ethyl]-1,3-dimethyl-8-piperidino-xanthine Formula: C20H22BrN5O3 MolecularWeight: 460.32438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H22BrN5O3/c1-23-17-16(18(28)24(2)20(23)29)26(19(22-17)25-10-4-3-5-11-25)12-15(27)13-6-8-14(21)9-7-13/h6-9H,3-5,10-12H2,1-2H3