N3-(2-fluoranyl-4-morpholin-4-yl-phenyl)-1-(2-methylsulfanyl-6-phenylazanyl-pyrimidin-4-yl)-1,2,4-triazole-3,5-diamine

Systemtic Name: N3-(2-fluoranyl-4-morpholin-4-yl-phenyl)-1-(2-methylsulfanyl-6-phenylazanyl-pyrimidin-4-yl)-1,2,4-triazole-3,5-diamine Openeye Name: 1-(6-anilino-2-methylsulfanyl-pyrimidin-4-yl)-N3-(2-fluoro-4-morpholino-phenyl)-1,2,4-triazole-3,5-diamine CAS Name: 1-[6-anilino-2-(methylthio)-4-pyrimidinyl]-N3-[2-fluoro-4-(4-morpholinyl)phenyl]-1,2,4-triazole-3,5-diamine IUPAC Name: 1-(6-anilino-2-methylsulfanylpyrimidin-4-yl)-3-N-(2-fluoro-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine Traditional Name: [5-amino-1-[6-anilino-2-(methylthio)pyrimidin-4-yl]-1,2,4-triazol-3-yl]-(2-fluoro-4-morpholino-phenyl)amine Formula: C23H24FN9OS MolecularWeight: 493.559763

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC=CC=C2)N3C(=NC(=N3)NC4=C(C=C(C=C4)N5CCOCC5)F)N

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC=CC=C2)N3C(=NC(=N3)NC4=C(C=C(C=C4)N5CCOCC5)F)N

InChI

InChI=1S/C23H24FN9OS/c1-35-23-28-19(26-15-5-3-2-4-6-15)14-20(29-23)33-21(25)30-22(31-33)27-18-8-7-16(13-17(18)24)32-9-11-34-12-10-32/h2-8,13-14H,9-12H2,1H3,(H,26,28,29)(H3,25,27,30,31)