4-(tert-butylamino)-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 4-(tert-butylamino)-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 4-(tert-butylamino)-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 4-(tert-butylamino)-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 4-(tert-butylamino)-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 4-(tert-butylamino)-1-ethyl-N-(4-mesylbenzyl)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC(C)(C)C)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC(C)(C)C)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H27N5O3S/c1-6-26-19-16(13-24-26)18(25-21(2,3)4)17(12-22-19)20(27)23-11-14-7-9-15(10-8-14)30(5,28)29/h7-10,12-13H,6,11H2,1-5H3,(H,22,25)(H,23,27)