N4-[3,4-bis(fluoranyl)phenyl]-5-bromanyl-N2-(6-phenoxypyridin-3-yl)pyrimidine-2,4-diamine

Systemtic Name: N4-[3,4-bis(fluoranyl)phenyl]-5-bromanyl-N2-(6-phenoxypyridin-3-yl)pyrimidine-2,4-diamine Openeye Name: 5-bromo-N4-(3,4-difluorophenyl)-N2-(6-phenoxy-3-pyridyl)pyrimidine-2,4-diamine CAS Name: 5-bromo-N4-(3,4-difluorophenyl)-N2-(6-phenoxy-3-pyridinyl)pyrimidine-2,4-diamine IUPAC Name: 5-bromo-4-N-(3,4-difluorophenyl)-2-N-(6-phenoxypyridin-3-yl)pyrimidine-2,4-diamine Traditional Name: [5-bromo-4-(3,4-difluoroanilino)pyrimidin-2-yl]-(6-phenoxy-3-pyridyl)amine Formula: C21H14BrF2N5O MolecularWeight: 470.269566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=NC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=C(C=C4)F)F)Br

Isomeric SMILES

C1=CC=C(C=C1)OC2=NC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=C(C=C4)F)F)Br

InChI

InChI=1S/C21H14BrF2N5O/c22-16-12-26-21(29-20(16)27-13-6-8-17(23)18(24)10-13)28-14-7-9-19(25-11-14)30-15-4-2-1-3-5-15/h1-12H,(H2,26,27,28,29)