5-[[(2-azaniumylcyclohexyl)amino]methylidene]-1-hexyl-4,6-bis(oxidanylidene)pyrimidin-2-olate

Systemtic Name: 5-[[(2-azaniumylcyclohexyl)amino]methylidene]-1-hexyl-4,6-bis(oxidanylidene)pyrimidin-2-olate Openeye Name: 5-[[(2-azaniumylcyclohexyl)amino]methylene]-1-hexyl-4,6-dioxo-pyrimidin-2-olate CAS Name: 5-[[(2-ammoniocyclohexyl)amino]methylidene]-1-hexyl-4,6-dioxo-2-pyrimidinolate IUPAC Name: 5-[[(2-azaniumylcyclohexyl)amino]methylidene]-1-hexyl-4,6-dioxopyrimidin-2-olate Traditional Name: 5-[[(2-ammoniocyclohexyl)amino]methylene]-1-hexyl-4,6-diketo-pyrimidin-2-olate Formula: C17H28N4O3 MolecularWeight: 336.42922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CNC2CCCCC2[NH3+])C(=O)N=C1[O-]

Isomeric SMILES

CCCCCCN1C(=O)C(=CNC2CCCCC2[NH3+])C(=O)N=C1[O-]

InChI

InChI=1S/C17H28N4O3/c1-2-3-4-7-10-21-16(23)12(15(22)20-17(21)24)11-19-14-9-6-5-8-13(14)18/h11,13-14,19H,2-10,18H2,1H3,(H,20,22,24)