2-[(4-azanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(4-azanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(4-amino-6-morpholino-1,3,5-triazin-2-yl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methylthio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-amino-6-morpholino-s-triazin-2-yl)methylthio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C21H18F3N7OS MolecularWeight: 473.47413

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F)C#N)N

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F)C#N)N

InChI

InChI=1S/C21H18F3N7OS/c22-21(23,24)15-10-16(13-4-2-1-3-5-13)27-18(14(15)11-25)33-12-17-28-19(26)30-20(29-17)31-6-8-32-9-7-31/h1-5,10H,6-9,12H2,(H2,26,28,29,30)