N4-[4-[(3-azanyl-1,2-benzoxazol-4-yl)oxy]-3-fluoranyl-phenyl]-6-pyridin-4-yl-pyrimidine-2,4-diamine

Systemtic Name: N4-[4-[(3-azanyl-1,2-benzoxazol-4-yl)oxy]-3-fluoranyl-phenyl]-6-pyridin-4-yl-pyrimidine-2,4-diamine Openeye Name: N4-[4-[(3-amino-1,2-benzoxazol-4-yl)oxy]-3-fluoro-phenyl]-6-(4-pyridyl)pyrimidine-2,4-diamine CAS Name: N4-[4-[(3-amino-1,2-benzoxazol-4-yl)oxy]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine IUPAC Name: 4-N-[4-[(3-amino-1,2-benzoxazol-4-yl)oxy]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine Traditional Name: [4-(3-aminoindoxazen-4-yl)oxy-3-fluoro-phenyl]-[2-amino-6-(4-pyridyl)pyrimidin-4-yl]amine Formula: C22H16FN7O2 MolecularWeight: 429.406543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OC3=C(C=C(C=C3)NC4=NC(=NC(=C4)C5=CC=NC=C5)N)F)C(=NO2)N

Isomeric SMILES

C1=CC2=C(C(=C1)OC3=C(C=C(C=C3)NC4=NC(=NC(=C4)C5=CC=NC=C5)N)F)C(=NO2)N

InChI

InChI=1S/C22H16FN7O2/c23-14-10-13(27-19-11-15(28-22(25)29-19)12-6-8-26-9-7-12)4-5-16(14)31-17-2-1-3-18-20(17)21(24)30-32-18/h1-11H,(H2,24,30)(H3,25,27,28,29)