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

Systemtic Name: 1-methyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-methyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-methyl-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-methyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-methyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]barbituric acid Formula: C12H20N5O3+ MolecularWeight: 282.3189

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)NC1=O

Isomeric SMILES

CN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)NC1=O

InChI

InChI=1S/C12H19N5O3/c1-16-11(19)9(10(18)15-12(16)20)8-14-4-7-17-5-2-13-3-6-17/h8,13-14H,2-7H2,1H3,(H,15,18,20)/p+1