1,3-dimethyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)barbituric acid Formula: C13H23N5O3+2 MolecularWeight: 297.35342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)N(C1=O)C)C=NCC[NH+]2CC[NH2+]CC2

Isomeric SMILES

CN1C(=O)C(C(=O)N(C1=O)C)C=NCC[NH+]2CC[NH2+]CC2

InChI

InChI=1S/C13H21N5O3/c1-16-11(19)10(12(20)17(2)13(16)21)9-15-5-8-18-6-3-14-4-7-18/h9-10,14H,3-8H2,1-2H3/p+2