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

Systemtic Name: 8-(4-cyclohexylcarbonylpiperazin-1-yl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[4-(cyclohexanecarbonyl)piperazino]-1,3-dimethyl-7-(3-methylbenzyl)xanthine Formula: C26H34N6O3 MolecularWeight: 478.58656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)C5CCCCC5)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)C5CCCCC5)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C26H34N6O3/c1-18-8-7-9-19(16-18)17-32-21-22(28(2)26(35)29(3)24(21)34)27-25(32)31-14-12-30(13-15-31)23(33)20-10-5-4-6-11-20/h7-9,16,20H,4-6,10-15,17H2,1-3H3