5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-methyl-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-methyl-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-4-methyl-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-phenyl-6-(4-propylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-4-methyl-2-phenyl-6-(4-propylsulfonylpiperazino)pyrimidine Formula: C25H28ClFN4O2S MolecularWeight: 503.031823

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC=C3Cl)F)C)C4=CC=CC=C4

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC=C3Cl)F)C)C4=CC=CC=C4

InChI

InChI=1S/C25H28ClFN4O2S/c1-3-16-34(32,33)31-14-12-30(13-15-31)25-20(17-21-22(26)10-7-11-23(21)27)18(2)28-24(29-25)19-8-5-4-6-9-19/h4-11H,3,12-17H2,1-2H3