6-(1H-indazol-4-yl)-1-methyl-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 6-(1H-indazol-4-yl)-1-methyl-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-(1H-indazol-4-yl)-1-methyl-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 6-(1H-indazol-4-yl)-1-methyl-N-[(3-methylsulfonylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 6-(1H-indazol-4-yl)-1-methyl-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [6-(1H-indazol-4-yl)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]-(3-mesylbenzyl)amine Formula: C21H19N7O2S MolecularWeight: 433.48626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)C3=C4C=NNC4=CC=C3)NCC5=CC(=CC=C5)S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)C3=C4C=NNC4=CC=C3)NCC5=CC(=CC=C5)S(=O)(=O)C

InChI

InChI=1S/C21H19N7O2S/c1-28-21-17(12-24-28)19(22-10-13-5-3-6-14(9-13)31(2,29)30)25-20(26-21)15-7-4-8-18-16(15)11-23-27-18/h3-9,11-12H,10H2,1-2H3,(H,23,27)(H,22,25,26)