1-butan-2-yl-5-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 1-butan-2-yl-5-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[(2-morpholin-4-ium-4-ylethylamino)methylene]-6-oxo-1-sec-butyl-2-thioxo-pyrimidin-4-olate CAS Name: 1-butan-2-yl-5-[[2-(4-morpholin-4-iumyl)ethylamino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 1-butan-2-yl-5-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 6-keto-5-[(2-morpholin-4-ium-4-ylethylamino)methylene]-1-sec-butyl-2-thioxo-pyrimidin-4-olate Formula: C15H24N4O3S MolecularWeight: 340.44106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CNCC[NH+]2CCOCC2)C(=NC1=S)[O-]

Isomeric SMILES

CCC(C)N1C(=O)C(=CNCC[NH+]2CCOCC2)C(=NC1=S)[O-]

InChI

InChI=1S/C15H24N4O3S/c1-3-11(2)19-14(21)12(13(20)17-15(19)23)10-16-4-5-18-6-8-22-9-7-18/h10-11,16H,3-9H2,1-2H3,(H,17,20,23)