7-[(4-chlorophenyl)methyl]-8-(4-cyclohexylcarbonylpiperazin-1-yl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-8-(4-cyclohexylcarbonylpiperazin-1-yl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-8-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-[4-(cyclohexanecarbonyl)piperazino]-1,3-dimethyl-xanthine Formula: C25H31ClN6O3 MolecularWeight: 499.00504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)C4CCCCC4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)C4CCCCC4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H31ClN6O3/c1-28-21-20(23(34)29(2)25(28)35)32(16-17-8-10-19(26)11-9-17)24(27-21)31-14-12-30(13-15-31)22(33)18-6-4-3-5-7-18/h8-11,18H,3-7,12-16H2,1-2H3