2-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-4-methyl-quinoline hydrochloride

Systemtic Name: 2-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-4-methyl-quinoline hydrochloride Openeye Name: 2-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-4-methyl-quinoline hydrochloride CAS Name: 2-[4-methoxy-3-[(2-pyrimidinylthio)methyl]phenyl]-4-methylquinoline hydrochloride IUPAC Name: 2-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-4-methylquinoline hydrochloride Traditional Name: 2-[4-methoxy-3-[(2-pyrimidylthio)methyl]phenyl]-4-methyl-quinoline hydrochloride Formula: C22H20ClN3OS MolecularWeight: 409.9317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)C3=CC(=C(C=C3)OC)CSC4=NC=CC=N4.Cl

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)C3=CC(=C(C=C3)OC)CSC4=NC=CC=N4.Cl

InChI

InChI=1S/C22H19N3OS.ClH/c1-15-12-20(25-19-7-4-3-6-18(15)19)16-8-9-21(26-2)17(13-16)14-27-22-23-10-5-11-24-22;/h3-13H,14H2,1-2H3;1H