methyl 4-methyl-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(4,5,6-trimethyl-2-pyrimidinyl)thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(4,5,6-trimethylpyrimidin-2-yl)thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C)C

InChI

InChI=1S/C20H21N3O2S/c1-11-13(3)21-20(22-14(11)4)26-10-17-18(19(24)25-5)12(2)15-8-6-7-9-16(15)23-17/h6-9H,10H2,1-5H3