methyl 4-methyl-2-(pyrimidin-2-ylsulfanylmethyl)quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-(pyrimidin-2-ylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-(pyrimidin-2-ylsulfanylmethyl)quinoline-3-carboxylate CAS Name: 4-methyl-2-[(2-pyrimidinylthio)methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-(pyrimidin-2-ylsulfanylmethyl)quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(2-pyrimidylthio)methyl]quinoline-3-carboxylic acid methyl ester Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC=CC=N3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC=CC=N3)C(=O)OC

InChI

InChI=1S/C17H15N3O2S/c1-11-12-6-3-4-7-13(12)20-14(15(11)16(21)22-2)10-23-17-18-8-5-9-19-17/h3-9H,10H2,1-2H3