5-[(3-fluorophenyl)methyl]-2,4-dimethyl-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine

Systemtic Name: 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidine Traditional Name: 4-(4-besylpiperazino)-5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidine Formula: C23H25FN4O2S MolecularWeight: 440.533603

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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(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O2S/c1-17-22(16-19-7-6-8-20(24)15-19)23(26-18(2)25-17)27-11-13-28(14-12-27)31(29,30)21-9-4-3-5-10-21/h3-10,15H,11-14,16H2,1-2H3