4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidine

Systemtic Name: 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidine Openeye Name: 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidine CAS Name: 4-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidine IUPAC Name: 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidine Traditional Name: 4-(4-brosylpiperazino)-6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidine Formula: C24H26BrFN4O2S MolecularWeight: 533.456243

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)CC4=CC(=CC=C4)F

InChI

InChI=1S/C24H26BrFN4O2S/c1-3-23-22(16-18-5-4-6-20(26)15-18)24(28-17(2)27-23)29-11-13-30(14-12-29)33(31,32)21-9-7-19(25)8-10-21/h4-10,15H,3,11-14,16H2,1-2H3