ethyl 6-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H19N3O4S/c1-2-26-18(23)16-14(12-27-15-10-6-7-11-22(15)25)20-19(24)21-17(16)13-8-4-3-5-9-13/h3-11,17H,2,12H2,1H3,(H2,20,21,24)