(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone Traditional Name: [4-(4-chlorobenzyl)piperazino]-[5-chloro-2-(methylthio)pyrimidin-4-yl]methanone Formula: C17H18Cl2N4OS MolecularWeight: 397.32202

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H18Cl2N4OS/c1-25-17-20-10-14(19)15(21-17)16(24)23-8-6-22(7-9-23)11-12-2-4-13(18)5-3-12/h2-5,10H,6-9,11H2,1H3