6-(1H-indazol-4-yl)-1-methyl-4-[(4-methylsulfonylphenyl)methoxy]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-(1H-indazol-4-yl)-1-methyl-4-[(4-methylsulfonylphenyl)methoxy]pyrazolo[3,4-d]pyrimidine Openeye Name: 6-(1H-indazol-4-yl)-1-methyl-4-[(4-methylsulfonylphenyl)methoxy]pyrazolo[3,4-d]pyrimidine CAS Name: 6-(1H-indazol-4-yl)-1-methyl-4-[(4-methylsulfonylphenyl)methoxy]pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-(1H-indazol-4-yl)-1-methyl-4-[(4-methylsulfonylphenyl)methoxy]pyrazolo[3,4-d]pyrimidine Traditional Name: 6-(1H-indazol-4-yl)-4-(4-mesylbenzyl)oxy-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)C3=C4C=NNC4=CC=C3)OCC5=CC=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)C3=C4C=NNC4=CC=C3)OCC5=CC=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C21H18N6O3S/c1-27-20-17(11-23-27)21(30-12-13-6-8-14(9-7-13)31(2,28)29)25-19(24-20)15-4-3-5-18-16(15)10-22-26-18/h3-11H,12H2,1-2H3,(H,22,26)