(5E)-1-butyl-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: (5E)-1-butyl-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-1-butyl-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-1-butyl-5-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-1-butyl-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-1-butyl-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]barbituric acid Formula: C14H24N5O3+ MolecularWeight: 310.37206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNN2CC[NH+](CC2)C)C(=O)NC1=O

Isomeric SMILES

CCCCN1C(=O)/C(=C/NN2CC[NH+](CC2)C)/C(=O)NC1=O

InChI

InChI=1S/C14H23N5O3/c1-3-4-5-19-13(21)11(12(20)16-14(19)22)10-15-18-8-6-17(2)7-9-18/h10,15H,3-9H2,1-2H3,(H,16,20,22)/p+1/b11-10+