[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-oxo-3H-1,3-benzoxazole-6-sulfonate CAS Name: 2-oxo-3H-1,3-benzoxazole-6-sulfonic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-oxo-3H-1,3-benzoxazole-6-sulfonate Traditional Name: 2-keto-3H-1,3-benzoxazole-6-sulfonic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C23H16N4O5S MolecularWeight: 460.46194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OS(=O)(=O)C4=CC5=C(C=C4)NC(=O)O5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OS(=O)(=O)C4=CC5=C(C=C4)NC(=O)O5

InChI

InChI=1S/C23H16N4O5S/c28-23-27-19-11-10-18(12-21(19)31-23)33(29,30)32-17-8-6-16(7-9-17)26-22-13-20(24-14-25-22)15-4-2-1-3-5-15/h1-14H,(H,27,28)(H,24,25,26)