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

Systemtic Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrimidine CAS Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 4-ethyl-5-(3-fluorobenzyl)-2-methyl-6-(4-tosylpiperazino)pyrimidine Formula: C25H29FN4O2S MolecularWeight: 468.586763

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC(=CC=C4)F

InChI

InChI=1S/C25H29FN4O2S/c1-4-24-23(17-20-6-5-7-21(26)16-20)25(28-19(3)27-24)29-12-14-30(15-13-29)33(31,32)22-10-8-18(2)9-11-22/h5-11,16H,4,12-15,17H2,1-3H3