1-(4-ethylphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-ethylphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-ethylphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-ethylphenyl)-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-ethylphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-ethylphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]barbituric acid Formula: C19H26N5O3+ MolecularWeight: 372.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)NC2=O

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)NC2=O

InChI

InChI=1S/C19H25N5O3/c1-2-14-3-5-15(6-4-14)24-18(26)16(17(25)22-19(24)27)13-21-9-12-23-10-7-20-8-11-23/h3-6,13,20-21H,2,7-12H2,1H3,(H,22,25,27)/p+1