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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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