5-ethyl-3-(3-iodanylprop-2-ynyl)-2-phenyl-6-(trifluoromethyl)pyrimidin-4-one

Systemtic Name: 5-ethyl-3-(3-iodanylprop-2-ynyl)-2-phenyl-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 5-ethyl-3-(3-iodoprop-2-ynyl)-2-phenyl-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 5-ethyl-3-(3-iodoprop-2-ynyl)-2-phenyl-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 5-ethyl-3-(3-iodoprop-2-ynyl)-2-phenyl-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 5-ethyl-3-(3-iodoprop-2-ynyl)-2-phenyl-6-(trifluoromethyl)pyrimidin-4-one Formula: C16H12F3IN2O MolecularWeight: 432.17896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N(C1=O)CC#CI)C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CCC1=C(N=C(N(C1=O)CC#CI)C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H12F3IN2O/c1-2-12-13(16(17,18)19)21-14(11-7-4-3-5-8-11)22(15(12)23)10-6-9-20/h3-5,7-8H,2,10H2,1H3