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4-[3-(cyclohexylamino)propyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
4-[3-(cyclohexylamino)propyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
C1CCC(CC1)NCCCC2=NC(=NC(=C2)C3=CC(=CC=C3)C(F)(F)F)C#N
Isomeric SMILES
C1CCC(CC1)NCCCC2=NC(=NC(=C2)C3=CC(=CC=C3)C(F)(F)F)C#N
InChI
InChI=1S/C21H23F3N4/c22-21(23,24)16-7-4-6-15(12-16)19-13-18(27-20(14-25)28-19)10-5-11-26-17-8-2-1-3-9-17/h4,6-7,12-13,17,26H,1-3,5,8-11H2
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