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

Systemtic Name: 6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonyl-1-piperazinyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 6-(1H-indazol-4-yl)-4-(4-mesylpiperazino)-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C18H20N8O2S MolecularWeight: 412.4688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)C3=C4C=NNC4=CC=C3)N5CCN(CC5)S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)C3=C4C=NNC4=CC=C3)N5CCN(CC5)S(=O)(=O)C

InChI

InChI=1S/C18H20N8O2S/c1-24-17-14(11-20-24)18(25-6-8-26(9-7-25)29(2,27)28)22-16(21-17)12-4-3-5-15-13(12)10-19-23-15/h3-5,10-11H,6-9H2,1-2H3,(H,19,23)