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4-[3-(pentan-3-ylamino)propyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
4-[3-(pentan-3-ylamino)propyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
CCC(CC)NCCCC1=NC(=NC(=C1)C2=CC(=CC=C2)C(F)(F)F)C#N
Isomeric SMILES
CCC(CC)NCCCC1=NC(=NC(=C1)C2=CC(=CC=C2)C(F)(F)F)C#N
InChI
InChI=1S/C20H23F3N4/c1-3-16(4-2)25-10-6-9-17-12-18(27-19(13-24)26-17)14-7-5-8-15(11-14)20(21,22)23/h5,7-8,11-12,16,25H,3-4,6,9-10H2,1-2H3
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