4-(2,3-dimethoxyphenyl)-6-methylidene-N-pyridin-1-ium-3-yl-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: 4-(2,3-dimethoxyphenyl)-6-methylidene-N-pyridin-1-ium-3-yl-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: 4-(2,3-dimethoxyphenyl)-6-methylene-N-pyridin-1-ium-3-yl-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: 4-(2,3-dimethoxyphenyl)-6-methylene-N-(3-pyridin-1-iumyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: 4-(2,3-dimethoxyphenyl)-6-methylidene-N-pyridin-1-ium-3-yl-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: 4-(2,3-dimethoxyphenyl)-6-methylene-N-pyridin-1-ium-3-yl-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C19H21N4O3S+ MolecularWeight: 385.46004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2C(C(=C)NC(=S)N2)C(=O)NC3=C[NH+]=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)C2C(C(=C)NC(=S)N2)C(=O)NC3=C[NH+]=CC=C3

InChI

InChI=1S/C19H20N4O3S/c1-11-15(18(24)22-12-6-5-9-20-10-12)16(23-19(27)21-11)13-7-4-8-14(25-2)17(13)26-3/h4-10,15-16H,1H2,2-3H3,(H,22,24)(H2,21,23,27)/p+1