5-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[(3-morpholin-4-ium-4-ylpropylamino)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[[3-(4-morpholin-4-iumyl)propylamino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 6-keto-5-[(3-morpholin-4-ium-4-ylpropylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C12H18N4O3S MolecularWeight: 298.36132

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC=C2C(=O)NC(=S)N=C2[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC=C2C(=O)NC(=S)N=C2[O-]

InChI

InChI=1S/C12H18N4O3S/c17-10-9(11(18)15-12(20)14-10)8-13-2-1-3-16-4-6-19-7-5-16/h8,13H,1-7H2,(H2,14,15,17,18,20)