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

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-oxo-3H-1,3-benzoxazole-6-sulfonate CAS Name: 2-oxo-3H-1,3-benzoxazole-6-sulfonic acid [4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(2-methyl-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-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C24H18N4O5S MolecularWeight: 474.48852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)C5=CC=CC=C5

InChI

InChI=1S/C24H18N4O5S/c1-15-25-21(16-5-3-2-4-6-16)14-23(26-15)27-17-7-9-18(10-8-17)33-34(30,31)19-11-12-20-22(13-19)32-24(29)28-20/h2-14H,1H3,(H,28,29)(H,25,26,27)