8-(4-cyclohexylcarbonylpiperazin-1-yl)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(4-cyclohexylcarbonylpiperazin-1-yl)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[4-(cyclohexanecarbonyl)piperazino]-1,3,7-trimethyl-xanthine Formula: C19H28N6O3 MolecularWeight: 388.46402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCN(CC3)C(=O)C4CCCCC4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N3CCN(CC3)C(=O)C4CCCCC4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H28N6O3/c1-21-14-15(22(2)19(28)23(3)17(14)27)20-18(21)25-11-9-24(10-12-25)16(26)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3