[3-[(6-methylpyrimidin-4-yl)amino]phenyl] thiophene-2-sulfonate

Systemtic Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] thiophene-2-sulfonate Openeye Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [3-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [3-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C15H13N3O3S2 MolecularWeight: 347.41202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H13N3O3S2/c1-11-8-14(17-10-16-11)18-12-4-2-5-13(9-12)21-23(19,20)15-6-3-7-22-15/h2-10H,1H3,(H,16,17,18)