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

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-ethyl-6-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-4-ethyl-6-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-6-(4-methylsulfonyl-1-piperazinyl)-2-phenylpyrimidine IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-6-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyrimidine Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-4-ethyl-6-(4-mesylpiperazino)-2-phenyl-pyrimidine Formula: C24H26ClFN4O2S MolecularWeight: 489.005243

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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=C(C=CC=C4Cl)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C24H26ClFN4O2S/c1-3-22-19(16-18-20(25)10-7-11-21(18)26)24(28-23(27-22)17-8-5-4-6-9-17)29-12-14-30(15-13-29)33(2,31)32/h4-11H,3,12-16H2,1-2H3