5-[(azepan-1-ium-1-ylamino)methylidene]-1-hexyl-4,6-bis(oxidanylidene)pyrimidin-2-olate

Systemtic Name: 5-[(azepan-1-ium-1-ylamino)methylidene]-1-hexyl-4,6-bis(oxidanylidene)pyrimidin-2-olate Openeye Name: 5-[(azepan-1-ium-1-ylamino)methylene]-1-hexyl-4,6-dioxo-pyrimidin-2-olate CAS Name: 5-[(1-azepan-1-iumylamino)methylidene]-1-hexyl-4,6-dioxo-2-pyrimidinolate IUPAC Name: 5-[(azepan-1-ium-1-ylamino)methylidene]-1-hexyl-4,6-dioxopyrimidin-2-olate Traditional Name: 5-[(azepan-1-ium-1-ylamino)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(=CN[NH+]2CCCCCC2)C(=O)N=C1[O-]

Isomeric SMILES

CCCCCCN1C(=O)C(=CN[NH+]2CCCCCC2)C(=O)N=C1[O-]

InChI

InChI=1S/C17H28N4O3/c1-2-3-4-9-12-21-16(23)14(15(22)19-17(21)24)13-18-20-10-7-5-6-8-11-20/h13,18H,2-12H2,1H3,(H,19,22,24)