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

Systemtic Name: 1-(4-bromophenyl)-5-[[(4-methylpiperazin-1-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-bromophenyl)-5-[[(4-methylpiperazin-1-yl)amino]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-bromophenyl)-5-[[(4-methyl-1-piperazinyl)amino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-bromophenyl)-5-[[(4-methylpiperazin-1-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-bromophenyl)-5-[[(4-methylpiperazino)amino]methylene]barbituric acid Formula: C16H18BrN5O3 MolecularWeight: 408.24982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1CCN(CC1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H18BrN5O3/c1-20-6-8-21(9-7-20)18-10-13-14(23)19-16(25)22(15(13)24)12-4-2-11(17)3-5-12/h2-5,10,18H,6-9H2,1H3,(H,19,23,25)