(5E)-6-oxidanylidene-5-[(pyridin-1-ium-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)pyrimidin-4-olate

Systemtic Name: (5E)-6-oxidanylidene-5-[(pyridin-1-ium-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)pyrimidin-4-olate Openeye Name: (5E)-6-oxo-5-[(pyridin-1-ium-3-ylmethylamino)methylene]-2-thioxo-1-(2,4,6-trimethylphenyl)pyrimidin-4-olate CAS Name: (5E)-6-oxo-5-[(3-pyridin-1-iumylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-4-pyrimidinolate IUPAC Name: (5E)-6-oxo-5-[(pyridin-1-ium-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)pyrimidin-4-olate Traditional Name: (5E)-6-keto-1-mesityl-5-[(pyridin-1-ium-3-ylmethylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C20H20N4O2S MolecularWeight: 380.4634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C(=O)C(=CNCC3=C[NH+]=CC=C3)C(=NC2=S)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C(=O)/C(=C/NCC3=C[NH+]=CC=C3)/C(=NC2=S)[O-])C

InChI

InChI=1S/C20H20N4O2S/c1-12-7-13(2)17(14(3)8-12)24-19(26)16(18(25)23-20(24)27)11-22-10-15-5-4-6-21-9-15/h4-9,11,22H,10H2,1-3H3,(H,23,25,27)/b16-11+