3-[2-cyano-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]propyl-methyl-carbamic acid

Systemtic Name: 3-[2-cyano-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]propyl-methyl-carbamic acid Openeye Name: 3-[2-cyano-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]propyl-methyl-carbamic acid CAS Name: 3-[2-cyano-6-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]propyl-methylcarbamic acid IUPAC Name: 3-[2-cyano-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]propyl-methylcarbamic acid Traditional Name: 3-[2-cyano-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]propyl-methyl-carbamic acid Formula: C17H15F3N4O2 MolecularWeight: 364.32181

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=NC(=NC(=C1)C2=CC(=CC=C2)C(F)(F)F)C#N)C(=O)O

Isomeric SMILES

CN(CCCC1=NC(=NC(=C1)C2=CC(=CC=C2)C(F)(F)F)C#N)C(=O)O

InChI

InChI=1S/C17H15F3N4O2/c1-24(16(25)26)7-3-6-13-9-14(23-15(10-21)22-13)11-4-2-5-12(8-11)17(18,19)20/h2,4-5,8-9H,3,6-7H2,1H3,(H,25,26)