Triflumezopyrim
| PubChem CID | 57414497 |
| Molecular Formula | C20H13F3N4O2 |
| Structure |
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| Synonyms |
Triflumezopyrim
1263133-33-0 Triflumezopyrim [ISO] UNII-VP0231M1ER VP0231M1ER 4-oxo-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate 2,4-Dioxo-1-(5-pyrimidinylmethyl)-3-(3-(trifluoromethyl)phenyl)-2H-pyrido(1,2-a)pyrimidinium inner salt DTXSID90155139 LHZOTJOOBRODLL-UHFFFAOYSA-N DA-58725 HY-145296 CS-0370916 G71957 Q27291945 2,4-Dioxo-1-(pyrimidin-5-ylmethyl)-3-(3-(trifluoromethyl)phenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-1-ium-3-ide 2H-PYRIDO(1,2-A)PYRIMIDINIUM, 2,4-DIOXO-1-(5-PYRIMIDINYLMETHYL)-3-(3-(TRIFLUOROMETHYL)PHENYL)-, INNER SALT 2H-Pyrido[1,2-a]pyrimidinium, 2,4-dioxo-1-(5-pyrimidinylmethyl)-3-[3-(trifluoromethyl)phenyl]-, inner salt; Triflumezopyrim |
Computed Descriptors
| IUPAC Name | 4-oxo-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate |
| SMILES | C1=CC2=[N+](C(=C(C(=O)N2C=C1)C3=CC(=CC=C3)C(F)(F)F)[O-])CC4=CN=CN=C4 |
| Canonical SMILES | C1=CC2=[N+](C(=C(C(=O)N2C=C1)C3=CC(=CC=C3)C(F)(F)F)[O-])CC4=CN=CN=C4 |
| InChI | InChI=1S/C20H13F3N4O2/c21-20(22,23)15-5-3-4-14(8-15)17-18(28)26-7-2-1-6-16(26)27(19(17)29)11-13-9-24-12-25-10-13/h1-10,12H,11H2 |
| InChIKey | LHZOTJOOBRODLL-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 398.3 g/mol |
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 398.099 |
| Monoisotopic Mass | 398.099 |
| Topological Polar Surface Area | 72.2 |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 794 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
4 pairs of Verified P450 and Triflumezopyrim
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Laodelphax striatellus | CYP417A2 | R | |
| Laodelphax striatellus | CYP419A1 | R | |
| Laodelphax striatellus | CYP6FL1 | R | |
| Sogatella furcifera | CYPSF01 | E |