1-(1-methylsulfonylpiperidin-4-yl)-3-[2-(phenylmethyl)-3H-benzimidazol-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(1-methylsulfonylpiperidin-4-yl)-3-[2-(phenylmethyl)-3H-benzimidazol-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-(2-benzyl-3H-benzimidazol-5-yl)-1-(1-methylsulfonyl-4-piperidyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(1-methylsulfonyl-4-piperidinyl)-3-[2-(phenylmethyl)-3H-benzimidazol-5-yl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-(2-benzyl-3H-benzimidazol-5-yl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-(2-benzyl-3H-benzimidazol-5-yl)-1-(1-mesyl-4-piperidyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C25H26N8O2S MolecularWeight: 502.59134

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)N2C3=C(C(=N2)C4=CC5=C(C=C4)N=C(N5)CC6=CC=CC=C6)C(=NC=N3)N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)N2C3=C(C(=N2)C4=CC5=C(C=C4)N=C(N5)CC6=CC=CC=C6)C(=NC=N3)N

InChI

InChI=1S/C25H26N8O2S/c1-36(34,35)32-11-9-18(10-12-32)33-25-22(24(26)27-15-28-25)23(31-33)17-7-8-19-20(14-17)30-21(29-19)13-16-5-3-2-4-6-16/h2-8,14-15,18H,9-13H2,1H3,(H,29,30)(H2,26,27,28)