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

Systemtic Name: (5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-1-phenethyl-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-1-phenethyl-hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-5-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-1-phenethyl-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-1-phenethyl-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-1-phenethyl-barbituric acid Formula: C18H24N5O3+ MolecularWeight: 358.41486

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC=C2C(=O)NC(=O)N(C2=O)CCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)N/C=C/2\C(=O)NC(=O)N(C2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O3/c1-21-9-11-22(12-10-21)19-13-15-16(24)20-18(26)23(17(15)25)8-7-14-5-3-2-4-6-14/h2-6,13,19H,7-12H2,1H3,(H,20,24,26)/p+1/b15-13+