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

Systemtic Name: 1-(3-methylphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(m-tolyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3-methylphenyl)-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3-methylphenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(m-tolyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]barbituric acid Formula: C18H24N5O3+ MolecularWeight: 358.41486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)NC2=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)NC2=O

InChI

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