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

Systemtic Name: 4-ethyl-5-[(4-fluorophenyl)methyl]-6-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine Openeye Name: 4-ethyl-5-[(4-fluorophenyl)methyl]-6-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine CAS Name: 4-ethyl-5-[(4-fluorophenyl)methyl]-6-(4-methylsulfonyl-1-piperazinyl)-2-phenylpyrimidine IUPAC Name: 4-ethyl-5-[(4-fluorophenyl)methyl]-6-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyrimidine Traditional Name: 4-ethyl-5-(4-fluorobenzyl)-6-(4-mesylpiperazino)-2-phenyl-pyrimidine Formula: C24H27FN4O2S MolecularWeight: 454.560183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN4O2S/c1-3-22-21(17-18-9-11-20(25)12-10-18)24(27-23(26-22)19-7-5-4-6-8-19)28-13-15-29(16-14-28)32(2,30)31/h4-12H,3,13-17H2,1-2H3