4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzenesulfonic acid

Systemtic Name: 4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzenesulfonic acid Openeye Name: 4-[3-[(4-thiazol-2-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonic acid CAS Name: 4-[3-[[4-(2-thiazolyl)-2-pyrimidinyl]amino]phenyl]benzenesulfonic acid IUPAC Name: 4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzenesulfonic acid Traditional Name: 4-[3-[(4-thiazol-2-ylpyrimidin-2-yl)amino]phenyl]besylic acid Formula: C19H14N4O3S2 MolecularWeight: 410.46946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=NC=CS3)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=NC=CS3)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C19H14N4O3S2/c24-28(25,26)16-6-4-13(5-7-16)14-2-1-3-15(12-14)22-19-21-9-8-17(23-19)18-20-10-11-27-18/h1-12H,(H,21,22,23)(H,24,25,26)