N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C22H28N6O5S MolecularWeight: 488.55992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C22H28N6O5S/c1-3-33-19-8-7-16(34(31,32)28-10-5-4-6-11-28)13-18(19)25-20(29)9-12-27-15-23-21-17(22(27)30)14-24-26(21)2/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,25,29)