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

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonate Openeye Name: [4-[(6-methylpyrimidin-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-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-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-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C18H14N4O5S MolecularWeight: 398.39256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O5S/c1-11-8-17(20-10-19-11)21-12-2-4-13(5-3-12)27-28(24,25)14-6-7-15-16(9-14)26-18(23)22-15/h2-10H,1H3,(H,22,23)(H,19,20,21)