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

Systemtic Name: 1-(2-chlorophenyl)-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-(2-chlorophenyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 1-(2-chlorophenyl)-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-(2-chlorophenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-1-(2-chlorophenyl)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C23H23ClN4O2S MolecularWeight: 454.97232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC=C2C(=NC(=S)N(C2=O)C3=CC=CC=C3Cl)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC=C2C(=NC(=S)N(C2=O)C3=CC=CC=C3Cl)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H23ClN4O2S/c24-19-8-4-5-9-20(19)28-22(30)18(21(29)26-23(28)31)14-25-17-10-12-27(13-11-17)15-16-6-2-1-3-7-16/h1-9,14,17,25H,10-13,15H2,(H,26,29,31)