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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C(C(=C)NC(=S)N2)C(=O)NC3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2C(C(=C)NC(=S)N2)C(=O)NC3=CC=CC=[NH+]3

InChI

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