2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]-6-phenyl-benzenesulfonic acid

Systemtic Name: 2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]-6-phenyl-benzenesulfonic acid Openeye Name: 2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]-6-phenyl-benzenesulfonic acid CAS Name: 2-[(5-ethyl-7-pyrazolo[1,5-a]pyrimidinyl)methylamino]-6-phenylbenzenesulfonic acid IUPAC Name: 2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]-6-phenylbenzenesulfonic acid Traditional Name: 2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]-6-phenyl-besylic acid Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=NN2C(=C1)CNC3=CC=CC(=C3S(=O)(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=CC=NN2C(=C1)CNC3=CC=CC(=C3S(=O)(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3S/c1-2-16-13-17(25-20(24-16)11-12-23-25)14-22-19-10-6-9-18(21(19)29(26,27)28)15-7-4-3-5-8-15/h3-13,22H,2,14H2,1H3,(H,26,27,28)