N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H26N6O4S2 MolecularWeight: 490.59894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H26N6O4S2/c1-3-31-17-8-7-15(11-18(17)33(29,30)27-9-5-4-6-10-27)25-19(28)13-32-21-16-12-24-26(2)20(16)22-14-23-21/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,25,28)