2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: N-[4-(1-piperidylsulfonyl)phenyl]-2-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: 2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: N-(4-piperidinosulfonylphenyl)-2-[[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C25H26N6O3S2 MolecularWeight: 522.64234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C25H26N6O3S2/c1-18-5-9-20(10-6-18)31-24-22(15-28-31)25(27-17-26-24)35-16-23(32)29-19-7-11-21(12-8-19)36(33,34)30-13-3-2-4-14-30/h5-12,15,17H,2-4,13-14,16H2,1H3,(H,29,32)