3-methoxy-5-[[6-oxidanylidene-2-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-5H-pteridin-4-yl]oxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-5-[[6-oxidanylidene-2-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-5H-pteridin-4-yl]oxy]benzenecarbonitrile Openeye Name: 3-methoxy-5-[[6-oxo-2-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-5H-pteridin-4-yl]oxy]benzonitrile CAS Name: 3-methoxy-5-[[6-oxo-2-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-5H-pteridin-4-yl]oxy]benzonitrile IUPAC Name: 3-methoxy-5-[[6-oxo-2-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-5H-pteridin-4-yl]oxy]benzonitrile Traditional Name: 3-[[6-keto-2-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-5H-pteridin-4-yl]oxy]-5-methoxy-benzonitrile Formula: C21H14F3N5O4 MolecularWeight: 457.36217

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)OC2=NC(=NC3=C2NC(=O)CN3)OC4=CC=C(C=C4)C(F)(F)F)C#N

Isomeric SMILES

COC1=CC(=CC(=C1)OC2=NC(=NC3=C2NC(=O)CN3)OC4=CC=C(C=C4)C(F)(F)F)C#N

InChI

InChI=1S/C21H14F3N5O4/c1-31-14-6-11(9-25)7-15(8-14)32-19-17-18(26-10-16(30)27-17)28-20(29-19)33-13-4-2-12(3-5-13)21(22,23)24/h2-8H,10H2,1H3,(H,27,30)(H,26,28,29)