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2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]phenyl]benzenesulfonic acid

2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]phenyl]benzenesulfonic acid

Systemtic Name:2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]phenyl]benzenesulfonic acid
Openeye Name:2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]phenyl]benzenesulfonic acid
CAS Name:2-[4-[(5-methyl-7-pyrazolo[1,5-a]pyrimidinyl)methylamino]phenyl]benzenesulfonic acid
IUPAC Name:2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]phenyl]benzenesulfonic acid
Traditional Name:2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]phenyl]besylic acid
Formula: C20H18N4O3S
MolecularWeight: 394.44692
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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=NN2C(=C1)CNC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)O


Isomeric SMILES

CC1=NC2=CC=NN2C(=C1)CNC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)O


InChI

InChI=1S/C20H18N4O3S/c1-14-12-17(24-20(23-14)10-11-22-24)13-21-16-8-6-15(7-9-16)18-4-2-3-5-19(18)28(25,26)27/h2-12,21H,13H2,1H3,(H,25,26,27)


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