4-[(3-bromanyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid

Systemtic Name: 4-[(3-bromanyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid Openeye Name: 4-[(3-bromo-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid CAS Name: 4-[(3-bromo-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)amino]benzenesulfonic acid IUPAC Name: 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid Traditional Name: 4-[(3-bromo-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]besylic acid Formula: C18H13BrN4O3S MolecularWeight: 445.28982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)NC4=CC=C(C=C4)S(=O)(=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)NC4=CC=C(C=C4)S(=O)(=O)O)Br

InChI

InChI=1S/C18H13BrN4O3S/c19-15-11-20-23-17(21-13-6-8-14(9-7-13)27(24,25)26)10-16(22-18(15)23)12-4-2-1-3-5-12/h1-11,21H,(H,24,25,26)