UUQ

4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile

Created:2021-03-21
Last modified:  2022-11-02

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count49
Aromatic Bond Count17
2D diagram of UUQ
Toggle HydrogenToggle Labels

Chemical Component Summary

Name4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile
Synonyms4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile
Systematic Name (OpenEye OEToolkits)4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile
FormulaC23 H14 F3 N3 O3
Molecular Weight437.371
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F)c4ccccc4c2C#N
SMILESOpenEye OEToolkits2.0.7Cc1ccccc1Oc2cc(c3ccccc3c2C#N)N4C(=O)C=C(NC4=O)C(F)(F)F
Canonical SMILESCACTVS3.385 Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F)c4ccccc4c2C#N
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccccc1Oc2cc(c3ccccc3c2C#N)N4C(=O)C=C(NC4=O)C(F)(F)F
InChIInChI1.03 InChI=1S/C23H14F3N3O3/c1-13-6-2-5-9-18(13)32-19-10-17(15-8-4-3-7-14(15)16(19)12-27)29-21(30)11-20(23(24,25)26)28-22(29)31/h2-11H,1H3,(H,28,31)
InChIKeyInChI1.03 JBKRLZPXWNTYBD-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 156716114