5-bromanyl-N2-[2-fluoranyl-4-(oxiran-2-ylmethoxy)phenyl]-N4-phenyl-pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N2-[2-fluoranyl-4-(oxiran-2-ylmethoxy)phenyl]-N4-phenyl-pyrimidine-2,4-diamine Openeye Name: 5-bromo-N2-[2-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-N4-phenyl-pyrimidine-2,4-diamine CAS Name: 5-bromo-N2-[2-fluoro-4-(2-oxiranylmethoxy)phenyl]-N4-phenylpyrimidine-2,4-diamine IUPAC Name: 5-bromo-2-N-[2-fluoro-4-(oxiran-2-ylmethoxy)phenyl]-4-N-phenylpyrimidine-2,4-diamine Traditional Name: (4-anilino-5-bromo-pyrimidin-2-yl)-(2-fluoro-4-glycidoxy-phenyl)amine Formula: C19H16BrFN4O2 MolecularWeight: 431.258343

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)COC2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4)Br)F

Isomeric SMILES

C1C(O1)COC2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4)Br)F

InChI

InChI=1S/C19H16BrFN4O2/c20-15-9-22-19(25-18(15)23-12-4-2-1-3-5-12)24-17-7-6-13(8-16(17)21)26-10-14-11-27-14/h1-9,14H,10-11H2,(H2,22,23,24,25)