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

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-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-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-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-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C19H16N4O5S2 MolecularWeight: 444.48414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O5S2/c1-11-8-17(23-18(20-11)29-2)21-12-4-3-5-13(9-12)28-30(25,26)14-6-7-15-16(10-14)27-19(24)22-15/h3-10H,1-2H3,(H,22,24)(H,20,21,23)