6-oxidanylidene-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 6-oxidanylidene-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 6-oxo-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: 6-oxo-5-[[3-(1-piperidin-1-iumyl)propylamino]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 6-oxo-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: 6-keto-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC=C2C(=O)NC(=S)N=C2[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCCNC=C2C(=O)NC(=S)N=C2[O-]

InChI

InChI=1S/C13H20N4O2S/c18-11-10(12(19)16-13(20)15-11)9-14-5-4-8-17-6-2-1-3-7-17/h9,14H,1-8H2,(H2,15,16,18,19,20)