4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonic acid Openeye Name: 4-[[4-(2,4-dimethylthiazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonic acid CAS Name: 4-[[4-(2,4-dimethyl-5-thiazolyl)-2-pyrimidinyl]amino]benzenesulfonic acid IUPAC Name: 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonic acid Traditional Name: 4-[[4-(2,4-dimethylthiazol-5-yl)pyrimidin-2-yl]amino]besylic acid Formula: C15H14N4O3S2 MolecularWeight: 362.42666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C15H14N4O3S2/c1-9-14(23-10(2)17-9)13-7-8-16-15(19-13)18-11-3-5-12(6-4-11)24(20,21)22/h3-8H,1-2H3,(H,16,18,19)(H,20,21,22)