4-[6-azanyl-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-3-methyl-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonic acid

Systemtic Name: 4-[6-azanyl-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-3-methyl-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonic acid Openeye Name: 4-[6-amino-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-3-methyl-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonic acid CAS Name: 4-[6-amino-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-methyl-1-pyrazolo[3,4-d]pyrimidinyl]benzenesulfonic acid IUPAC Name: 4-[6-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonic acid Traditional Name: 4-[6-amino-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-3-methyl-pyrazolo[3,4-d]pyrimidin-1-yl]besylic acid Formula: C22H18ClN7O3S MolecularWeight: 495.94142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC(=NC(=C12)C3=C(N(N=C3C)C4=CC=CC=C4)Cl)N)C5=CC=C(C=C5)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C2=NC(=NC(=C12)C3=C(N(N=C3C)C4=CC=CC=C4)Cl)N)C5=CC=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C22H18ClN7O3S/c1-12-17(20(23)29(27-12)14-6-4-3-5-7-14)19-18-13(2)28-30(21(18)26-22(24)25-19)15-8-10-16(11-9-15)34(31,32)33/h3-11H,1-2H3,(H2,24,25,26)(H,31,32,33)