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

Systemtic Name: 5-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(4-fluorophenyl)methyl]-4-(4-isopropylsulfonylpiperazin-1-yl)-6-methyl-2-phenyl-pyrimidine CAS Name: 5-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-6-(4-propan-2-ylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(4-fluorobenzyl)-4-(4-isopropylsulfonylpiperazino)-6-methyl-2-phenyl-pyrimidine Formula: C25H29FN4O2S MolecularWeight: 468.586763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C(C)C)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C(C)C)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H29FN4O2S/c1-18(2)33(31,32)30-15-13-29(14-16-30)25-23(17-20-9-11-22(26)12-10-20)19(3)27-24(28-25)21-7-5-4-6-8-21/h4-12,18H,13-17H2,1-3H3