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

Systemtic Name: 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylsulfonylpiperazin-1-yl)-5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidine CAS Name: 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)-5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidine Traditional Name: 4-(4-benzylsulfonylpiperazino)-5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidine Formula: C24H27FN4O2S MolecularWeight: 454.560183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C24H27FN4O2S/c1-18-23(16-21-9-6-10-22(25)15-21)24(27-19(2)26-18)28-11-13-29(14-12-28)32(30,31)17-20-7-4-3-5-8-20/h3-10,15H,11-14,16-17H2,1-2H3