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

Systemtic Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-[(E)-styryl]sulfonylpiperazin-1-yl]pyrimidine CAS Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 4-ethyl-5-(3-fluorobenzyl)-2-methyl-6-[4-[(E)-styryl]sulfonylpiperazino]pyrimidine Formula: C26H29FN4O2S MolecularWeight: 480.597463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)CC4=CC(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C26H29FN4O2S/c1-3-25-24(19-22-10-7-11-23(27)18-22)26(29-20(2)28-25)30-13-15-31(16-14-30)34(32,33)17-12-21-8-5-4-6-9-21/h4-12,17-18H,3,13-16,19H2,1-2H3/b17-12+