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

Systemtic Name: 4-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 4-ethyl-5-[(2-fluorophenyl)methyl]-6-(4-isopropylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine CAS Name: 4-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-6-(4-propan-2-ylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 4-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 4-ethyl-5-(2-fluorobenzyl)-6-(4-isopropylsulfonylpiperazino)-2-phenyl-pyrimidine Formula: C26H31FN4O2S MolecularWeight: 482.613343

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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(C)C)CC4=CC=CC=C4F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C(C)C)CC4=CC=CC=C4F

InChI

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