1-cyclopropyl-6-oxidanylidene-5-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 1-cyclopropyl-6-oxidanylidene-5-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-1-cyclopropyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 1-cyclopropyl-6-oxo-5-[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylidene]-1-cyclopropyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-1-cyclopropyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C(=CNC3CC[NH+](CC3)CC4=CC=CC=C4)C(=NC2=S)[O-]

Isomeric SMILES

C1CC1N2C(=O)C(=CNC3CC[NH+](CC3)CC4=CC=CC=C4)C(=NC2=S)[O-]

InChI

InChI=1S/C20H24N4O2S/c25-18-17(19(26)24(16-6-7-16)20(27)22-18)12-21-15-8-10-23(11-9-15)13-14-4-2-1-3-5-14/h1-5,12,15-16,21H,6-11,13H2,(H,22,25,27)