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

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] thiophene-2-sulfonate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [4-[(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=C(C=C2)OS(=O)(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

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