5-[(4-chlorophenyl)methyl]-2,4-dimethyl-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine

Systemtic Name: 5-[(4-chlorophenyl)methyl]-2,4-dimethyl-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidine Traditional Name: 4-(4-besylpiperazino)-5-(4-chlorobenzyl)-2,6-dimethyl-pyrimidine Formula: C23H25ClN4O2S MolecularWeight: 456.9882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN4O2S/c1-17-22(16-19-8-10-20(24)11-9-19)23(26-18(2)25-17)27-12-14-28(15-13-27)31(29,30)21-6-4-3-5-7-21/h3-11H,12-16H2,1-2H3