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

Systemtic Name: 1-hexyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-hexyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-hexyl-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-hexyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-hexyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]barbituric acid Formula: C17H30N5O3+ MolecularWeight: 352.4518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)NC1=O

Isomeric SMILES

CCCCCCN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)NC1=O

InChI

InChI=1S/C17H29N5O3/c1-2-3-4-5-9-22-16(24)14(15(23)20-17(22)25)13-19-8-12-21-10-6-18-7-11-21/h13,18-19H,2-12H2,1H3,(H,20,23,25)/p+1