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

Systemtic Name: 4-(4-methoxy-3-phenylmethoxy-phenyl)-6-methyl-N-pyridin-1-ium-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(3-benzyloxy-4-methoxy-phenyl)-6-methyl-N-pyridin-1-ium-3-yl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(4-methoxy-3-phenylmethoxyphenyl)-6-methyl-N-(3-pyridin-1-iumyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(4-methoxy-3-phenylmethoxyphenyl)-6-methyl-N-pyridin-1-ium-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(3-benzoxy-4-methoxy-phenyl)-6-methyl-N-pyridin-1-ium-3-yl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C25H25N4O3S+ MolecularWeight: 461.556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OC)OCC3=CC=CC=C3)C(=O)NC4=C[NH+]=CC=C4

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OC)OCC3=CC=CC=C3)C(=O)NC4=C[NH+]=CC=C4

InChI

InChI=1S/C25H24N4O3S/c1-16-22(24(30)28-19-9-6-12-26-14-19)23(29-25(33)27-16)18-10-11-20(31-2)21(13-18)32-15-17-7-4-3-5-8-17/h3-14,23H,15H2,1-2H3,(H,28,30)(H2,27,29,33)/p+1