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

Systemtic Name: N3-(2-fluoranyl-4-morpholin-4-yl-phenyl)-1-(6-phenylazanylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine Openeye Name: 1-(6-anilinopyrimidin-4-yl)-N3-(2-fluoro-4-morpholino-phenyl)-1,2,4-triazole-3,5-diamine CAS Name: 1-(6-anilino-4-pyrimidinyl)-N3-[2-fluoro-4-(4-morpholinyl)phenyl]-1,2,4-triazole-3,5-diamine IUPAC Name: 1-(6-anilinopyrimidin-4-yl)-3-N-(2-fluoro-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine Traditional Name: [5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]-(2-fluoro-4-morpholino-phenyl)amine Formula: C22H22FN9O MolecularWeight: 447.468183

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C=C2)NC3=NN(C(=N3)N)C4=CC(=NC=N4)NC5=CC=CC=C5)F

Isomeric SMILES

C1COCCN1C2=CC(=C(C=C2)NC3=NN(C(=N3)N)C4=CC(=NC=N4)NC5=CC=CC=C5)F

InChI

InChI=1S/C22H22FN9O/c23-17-12-16(31-8-10-33-11-9-31)6-7-18(17)28-22-29-21(24)32(30-22)20-13-19(25-14-26-20)27-15-4-2-1-3-5-15/h1-7,12-14H,8-11H2,(H,25,26,27)(H3,24,28,29,30)