1-butyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione

Systemtic Name: 1-butyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Openeye Name: 1-butyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione CAS Name: 1-butyl-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]imidazolidine-2,4,5-trione IUPAC Name: 1-butyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Traditional Name: 1-butyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Formula: C16H23N6O3+ MolecularWeight: 347.39222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCCN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H22N6O3/c1-2-3-7-21-13(23)14(24)22(16(21)25)12-19-8-10-20(11-9-19)15-17-5-4-6-18-15/h4-6H,2-3,7-12H2,1H3/p+1