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

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] thiophene-2-sulfonate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C20H15N3O3S2 MolecularWeight: 409.4814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)OS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)OS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H15N3O3S2/c24-28(25,20-10-5-11-27-20)26-17-9-4-8-16(12-17)23-19-13-18(21-14-22-19)15-6-2-1-3-7-15/h1-14H,(H,21,22,23)