N-[4-chloranyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-yl]benzamide

Systemtic Name: N-[4-chloranyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-yl]benzamide Openeye Name: N-[4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-yl]benzamide CAS Name: N-[4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinyl]benzamide IUPAC Name: N-[4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-yl]benzamide Traditional Name: N-[4-chloro-6-(4-methylpiperazino)-5-(methylthio)pyrimidin-2-yl]benzamide Formula: C17H20ClN5OS MolecularWeight: 377.8916

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC(=N2)NC(=O)C3=CC=CC=C3)Cl)SC

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC(=N2)NC(=O)C3=CC=CC=C3)Cl)SC

InChI

InChI=1S/C17H20ClN5OS/c1-22-8-10-23(11-9-22)15-13(25-2)14(18)19-17(20-15)21-16(24)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,19,20,21,24)