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4-[3-(propan-2-ylamino)propyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
4-[3-(propan-2-ylamino)propyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)NCCCC1=NC(=NC(=C1)C2=CC(=CC=C2)C(F)(F)F)C#N
Isomeric SMILES
CC(C)NCCCC1=NC(=NC(=C1)C2=CC(=CC=C2)C(F)(F)F)C#N
InChI
InChI=1S/C18H19F3N4/c1-12(2)23-8-4-7-15-10-16(25-17(11-22)24-15)13-5-3-6-14(9-13)18(19,20)21/h3,5-6,9-10,12,23H,4,7-8H2,1-2H3
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