4-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 4-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 4-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-6-(4-propylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 4-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 4-ethyl-5-(2-fluorobenzyl)-2-phenyl-6-(4-propylsulfonylpiperazino)pyrimidine Formula: C26H31FN4O2S MolecularWeight: 482.613343

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3F)CC)C4=CC=CC=C4

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3F)CC)C4=CC=CC=C4

InChI

InChI=1S/C26H31FN4O2S/c1-3-18-34(32,33)31-16-14-30(15-17-31)26-22(19-21-12-8-9-13-23(21)27)24(4-2)28-25(29-26)20-10-6-5-7-11-20/h5-13H,3-4,14-19H2,1-2H3