2-chloranyl-7-methylsulfanyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline

Systemtic Name: 2-chloranyl-7-methylsulfanyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline Openeye Name: 2-chloro-7-methylsulfanyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline CAS Name: 2-chloro-7-(methylthio)-3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]quinoline IUPAC Name: 2-chloro-7-methylsulfanyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline Traditional Name: 2-chloro-7-(methylthio)-3-[[4-(2-pyrimidyl)piperazino]methyl]quinoline Formula: C19H20ClN5S MolecularWeight: 385.9136

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)C4=NC=CC=N4)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)C4=NC=CC=N4)Cl

InChI

InChI=1S/C19H20ClN5S/c1-26-16-4-3-14-11-15(18(20)23-17(14)12-16)13-24-7-9-25(10-8-24)19-21-5-2-6-22-19/h2-6,11-12H,7-10,13H2,1H3