(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione

Systemtic Name: (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione Openeye Name: (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione CAS Name: (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]imidazolidine-2,4-dione IUPAC Name: (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione Traditional Name: (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]hydantoin Formula: C26H29N6O2+ MolecularWeight: 457.54746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2(C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@]2(C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H28N6O2/c1-19-9-10-22(17-20(19)2)26(21-7-4-3-5-8-21)23(33)32(25(34)29-26)18-30-13-15-31(16-14-30)24-27-11-6-12-28-24/h3-12,17H,13-16,18H2,1-2H3,(H,29,34)/p+1/t26-/m1/s1