7-ethyl-1,3-dimethyl-8-[4-(phenylcarbonyl)piperazin-1-yl]purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-[4-(phenylcarbonyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzoylpiperazin-1-yl)-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-benzoyl-1-piperazinyl)-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4-benzoylpiperazin-1-yl)-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-benzoylpiperazino)-7-ethyl-1,3-dimethyl-xanthine Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CCN(CC3)C(=O)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1N3CCN(CC3)C(=O)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H24N6O3/c1-4-26-15-16(22(2)20(29)23(3)18(15)28)21-19(26)25-12-10-24(11-13-25)17(27)14-8-6-5-7-9-14/h5-9H,4,10-13H2,1-3H3