N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-methylsulfonyl-benzamide Openeye Name: N-[[1,6-diethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-methylsulfonyl-benzamide CAS Name: N-[[1,6-diethyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinyl]methyl]-4-methylsulfonylbenzamide IUPAC Name: N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-methylsulfonylbenzamide Traditional Name: N-[[1,6-diethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-mesyl-benzamide Formula: C24H31N5O4S MolecularWeight: 485.59904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C24H31N5O4S/c1-4-21-19(14-25-24(30)16-6-8-18(9-7-16)34(3,31)32)22(27-17-10-12-33-13-11-17)20-15-26-29(5-2)23(20)28-21/h6-9,15,17H,4-5,10-14H2,1-3H3,(H,25,30)(H,27,28)