[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)methanone

Systemtic Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)methanone Openeye Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(5-chloro-2-methylsulfanyl-pyrimidin-4-yl)methanone CAS Name: [4-(4-bromophenyl)sulfonyl-1-piperazinyl]-[5-chloro-2-(methylthio)-4-pyrimidinyl]methanone IUPAC Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(5-chloro-2-methylsulfanylpyrimidin-4-yl)methanone Traditional Name: (4-brosylpiperazino)-[5-chloro-2-(methylthio)pyrimidin-4-yl]methanone Formula: C16H16BrClN4O3S2 MolecularWeight: 491.81024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrClN4O3S2/c1-26-16-19-10-13(18)14(20-16)15(23)21-6-8-22(9-7-21)27(24,25)12-4-2-11(17)3-5-12/h2-5,10H,6-9H2,1H3