N-[[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-methylsulfonyl-benzamide Openeye Name: N-[[1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-methylsulfonyl-benzamide CAS Name: N-[[1-ethyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinyl]methyl]-4-methylsulfonylbenzamide IUPAC Name: N-[[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-methylsulfonylbenzamide Traditional Name: N-[[1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-mesyl-benzamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC3CCOCC3)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC3CCOCC3)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H27N5O4S/c1-3-27-21-19(14-25-27)20(26-17-8-10-31-11-9-17)16(12-23-21)13-24-22(28)15-4-6-18(7-5-15)32(2,29)30/h4-7,12,14,17H,3,8-11,13H2,1-2H3,(H,23,26)(H,24,28)