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

Systemtic Name: 4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-5-[(4-fluorophenyl)methyl]-2-phenyl-pyrimidine Openeye Name: 4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-5-[(4-fluorophenyl)methyl]-2-phenyl-pyrimidine CAS Name: 4-ethyl-6-(4-ethylsulfonyl-1-piperazinyl)-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidine IUPAC Name: 4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidine Traditional Name: 4-(4-esylpiperazino)-6-ethyl-5-(4-fluorobenzyl)-2-phenyl-pyrimidine Formula: C25H29FN4O2S MolecularWeight: 468.586763

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)CC)CC4=CC=C(C=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)CC)CC4=CC=C(C=C4)F

InChI

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