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

Systemtic Name: 1-phenyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-phenyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-phenyl-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-phenyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-phenyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]barbituric acid Formula: C17H22N5O3+ MolecularWeight: 344.38828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N5O3/c23-15-14(12-19-8-11-21-9-6-18-7-10-21)16(24)22(17(25)20-15)13-4-2-1-3-5-13/h1-5,12,18-19H,6-11H2,(H,20,23,25)/p+1