4-imidazol-1-yl-6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 4-imidazol-1-yl-6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 4-imidazol-1-yl-6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine CAS Name: 4-(1-imidazolyl)-6-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 4-imidazol-1-yl-6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 4-imidazol-1-yl-6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]pyrimidine Formula: C18H17F3N6O2S MolecularWeight: 438.42679

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC(=C2)N3C=CN=C3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=NC(=C2)N3C=CN=C3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C18H17F3N6O2S/c19-18(20,21)14-1-3-15(4-2-14)30(28,29)27-9-7-25(8-10-27)16-11-17(24-12-23-16)26-6-5-22-13-26/h1-6,11-13H,7-10H2