ethyl 6-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[4-[(4,6-dimethyl-2-pyrimidinyl)thio]anilino]-oxomethyl]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate Traditional Name: 6-[[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]carbamoyl]-2-methyl-nicotinic acid ethyl ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C)C

InChI

InChI=1S/C22H22N4O3S/c1-5-29-21(28)18-10-11-19(25-15(18)4)20(27)26-16-6-8-17(9-7-16)30-22-23-13(2)12-14(3)24-22/h6-12H,5H2,1-4H3,(H,26,27)