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

Systemtic Name: 2-[(4-azanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(4-amino-6-morpholino-1,3,5-triazin-2-yl)methylsulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methylthio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-amino-6-morpholino-s-triazin-2-yl)methylthio]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile Formula: C19H16F3N7OS2 MolecularWeight: 479.50185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)CSC3=C(C(=CC(=N3)C4=CC=CS4)C(F)(F)F)C#N)N

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)CSC3=C(C(=CC(=N3)C4=CC=CS4)C(F)(F)F)C#N)N

InChI

InChI=1S/C19H16F3N7OS2/c20-19(21,22)12-8-13(14-2-1-7-31-14)25-16(11(12)9-23)32-10-15-26-17(24)28-18(27-15)29-3-5-30-6-4-29/h1-2,7-8H,3-6,10H2,(H2,24,26,27,28)