(5E)-6-oxidanylidene-5-[[[4-(piperidin-1-ium-1-ylmethyl)phenyl]amino]methylidene]-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-6-oxidanylidene-5-[[[4-(piperidin-1-ium-1-ylmethyl)phenyl]amino]methylidene]-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-allyl-6-oxo-5-[[4-(piperidin-1-ium-1-ylmethyl)anilino]methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-6-oxo-5-[[4-(1-piperidin-1-iumylmethyl)anilino]methylidene]-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-6-oxo-5-[[4-(piperidin-1-ium-1-ylmethyl)anilino]methylidene]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-allyl-6-keto-5-[[4-(piperidin-1-ium-1-ylmethyl)anilino]methylene]-2-thioxo-pyrimidin-4-olate Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CNC2=CC=C(C=C2)C[NH+]3CCCCC3)C(=NC1=S)[O-]

Isomeric SMILES

C=CCN1C(=O)/C(=C/NC2=CC=C(C=C2)C[NH+]3CCCCC3)/C(=NC1=S)[O-]

InChI

InChI=1S/C20H24N4O2S/c1-2-10-24-19(26)17(18(25)22-20(24)27)13-21-16-8-6-15(7-9-16)14-23-11-4-3-5-12-23/h2,6-9,13,21H,1,3-5,10-12,14H2,(H,22,25,27)/b17-13+