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

Systemtic Name: 1-(4-methoxyphenyl)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-methoxyphenyl)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-methoxyphenyl)-5-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-methoxyphenyl)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-methoxyphenyl)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]barbituric acid Formula: C17H22N5O4+ MolecularWeight: 360.38768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O4/c1-20-7-9-21(10-8-20)18-11-14-15(23)19-17(25)22(16(14)24)12-3-5-13(26-2)6-4-12/h3-6,11,18H,7-10H2,1-2H3,(H,19,23,25)/p+1