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

Systemtic Name: 4-(3-ethoxy-4-phenylmethoxy-phenyl)-6-methyl-N-pyridin-1-ium-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(4-benzyloxy-3-ethoxy-phenyl)-6-methyl-N-pyridin-1-ium-2-yl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(3-ethoxy-4-phenylmethoxyphenyl)-6-methyl-N-(2-pyridin-1-iumyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(3-ethoxy-4-phenylmethoxyphenyl)-6-methyl-N-pyridin-1-ium-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(4-benzoxy-3-ethoxy-phenyl)-6-methyl-N-pyridin-1-ium-2-yl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C26H27N4O3S+ MolecularWeight: 475.58258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=[NH+]3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=[NH+]3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O3S/c1-3-32-21-15-19(12-13-20(21)33-16-18-9-5-4-6-10-18)24-23(17(2)28-26(34)30-24)25(31)29-22-11-7-8-14-27-22/h4-15,24H,3,16H2,1-2H3,(H,27,29,31)(H2,28,30,34)/p+1