4-(2,5-dimethoxyphenyl)-6-methyl-N-pyridin-1-ium-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-(2,5-dimethoxyphenyl)-6-methyl-N-pyridin-1-ium-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(2,5-dimethoxyphenyl)-6-methyl-N-pyridin-1-ium-3-yl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(2,5-dimethoxyphenyl)-6-methyl-N-(3-pyridin-1-iumyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(2,5-dimethoxyphenyl)-6-methyl-N-pyridin-1-ium-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(2,5-dimethoxyphenyl)-6-methyl-N-pyridin-1-ium-3-yl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C19H21N4O3S+ MolecularWeight: 385.46004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)OC)OC)C(=O)NC3=C[NH+]=CC=C3

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)OC)OC)C(=O)NC3=C[NH+]=CC=C3

InChI

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