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

Systemtic Name: 4-(4-methoxyphenyl)-6-methyl-N-pyridin-1-ium-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(4-methoxyphenyl)-6-methyl-N-pyridin-1-ium-2-yl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(4-methoxyphenyl)-6-methyl-N-(2-pyridin-1-iumyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(4-methoxyphenyl)-6-methyl-N-pyridin-1-ium-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(4-methoxyphenyl)-6-methyl-N-pyridin-1-ium-2-yl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OC)C(=O)NC3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OC)C(=O)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C18H18N4O2S/c1-11-15(17(23)21-14-5-3-4-10-19-14)16(22-18(25)20-11)12-6-8-13(24-2)9-7-12/h3-10,16H,1-2H3,(H,19,21,23)(H2,20,22,25)/p+1