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

Systemtic Name: 1-cyclopropyl-6-oxidanylidene-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 1-cyclopropyl-6-oxo-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: 1-cyclopropyl-6-oxo-5-[[3-(1-piperidin-1-iumyl)propylamino]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 1-cyclopropyl-6-oxo-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: 1-cyclopropyl-6-keto-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC=C2C(=NC(=S)N(C2=O)C3CC3)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCCNC=C2C(=NC(=S)N(C2=O)C3CC3)[O-]

InChI

InChI=1S/C16H24N4O2S/c21-14-13(15(22)20(12-5-6-12)16(23)18-14)11-17-7-4-10-19-8-2-1-3-9-19/h11-12,17H,1-10H2,(H,18,21,23)