5-[1-(4-methylphenyl)piperazin-1-ium-1-yl]-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[1-(4-methylphenyl)piperazin-1-ium-1-yl]-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-(4-phenylphenyl)-5-[1-(p-tolyl)piperazin-1-ium-1-yl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(4-methylphenyl)-1-piperazin-1-iumyl]-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(4-methylphenyl)piperazin-1-ium-1-yl]-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-phenylphenyl)-5-[1-(p-tolyl)piperazin-1-ium-1-yl]barbituric acid Formula: C27H27N4O3+ MolecularWeight: 455.52828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2(CCNCC2)C3(C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2(CCNCC2)C3(C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c1-19-7-13-23(14-8-19)31(17-15-28-16-18-31)27(24(32)29-26(34)30-25(27)33)22-11-9-21(10-12-22)20-5-3-2-4-6-20/h2-14,28H,15-18H2,1H3,(H-,29,30,32,33,34)/p+1