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

Systemtic Name: N3-(2-fluoranyl-4-morpholin-4-yl-phenyl)-1-(2-methyl-6-phenylazanyl-pyrimidin-4-yl)-1,2,4-triazole-3,5-diamine Openeye Name: 1-(6-anilino-2-methyl-pyrimidin-4-yl)-N3-(2-fluoro-4-morpholino-phenyl)-1,2,4-triazole-3,5-diamine CAS Name: 1-(6-anilino-2-methyl-4-pyrimidinyl)-N3-[2-fluoro-4-(4-morpholinyl)phenyl]-1,2,4-triazole-3,5-diamine IUPAC Name: 1-(6-anilino-2-methylpyrimidin-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-methyl-pyrimidin-4-yl)-1,2,4-triazol-3-yl]-(2-fluoro-4-morpholino-phenyl)amine Formula: C23H24FN9O MolecularWeight: 461.494763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=CC=C2)N3C(=NC(=N3)NC4=C(C=C(C=C4)N5CCOCC5)F)N

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=CC=C2)N3C(=NC(=N3)NC4=C(C=C(C=C4)N5CCOCC5)F)N

InChI

InChI=1S/C23H24FN9O/c1-15-26-20(28-16-5-3-2-4-6-16)14-21(27-15)33-22(25)30-23(31-33)29-19-8-7-17(13-18(19)24)32-9-11-34-12-10-32/h2-8,13-14H,9-12H2,1H3,(H,26,27,28)(H3,25,29,30,31)