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

Systemtic Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] thiophene-2-sulfonate Openeye Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3S2/c1-15-22-19(16-7-3-2-4-8-16)14-20(23-15)24-17-9-5-10-18(13-17)27-29(25,26)21-11-6-12-28-21/h2-14H,1H3,(H,22,23,24)