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

Systemtic Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine CAS Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 5-ethyl-2-(3-fluorophenyl)-4-(4-mesitylsulfonylpiperazino)-6-methyl-pyrimidine Formula: C26H31FN4O2S MolecularWeight: 482.613343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C4=CC(=CC=C4)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C26H31FN4O2S/c1-6-23-20(5)28-25(21-8-7-9-22(27)16-21)29-26(23)30-10-12-31(13-11-30)34(32,33)24-18(3)14-17(2)15-19(24)4/h7-9,14-16H,6,10-13H2,1-5H3