8-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Openeye Name: 8-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline CAS Name: 8-[[4-[2-(4-chlorophenyl)-5,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-[4-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Traditional Name: 8-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazino]sulfonylquinoline Formula: C25H24ClN5O2S MolecularWeight: 494.00836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CC=C(C=C5)Cl)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C25H24ClN5O2S/c1-17-18(2)28-24(20-8-10-21(26)11-9-20)29-25(17)30-13-15-31(16-14-30)34(32,33)22-7-3-5-19-6-4-12-27-23(19)22/h3-12H,13-16H2,1-2H3