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

Systemtic Name: 4-[(3-ethyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid Openeye Name: 4-[(3-ethyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid CAS Name: 4-[(3-ethyl-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)amino]benzenesulfonic acid IUPAC Name: 4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonic acid Traditional Name: 4-[(3-ethyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]besylic acid Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2N=C(C=C(N2N=C1)NC3=CC=C(C=C3)S(=O)(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCC1=C2N=C(C=C(N2N=C1)NC3=CC=C(C=C3)S(=O)(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O3S/c1-2-14-13-21-24-19(22-16-8-10-17(11-9-16)28(25,26)27)12-18(23-20(14)24)15-6-4-3-5-7-15/h3-13,22H,2H2,1H3,(H,25,26,27)