5-benzamido-1-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d][1,3]thiazole-3-carboxamide

Systemtic Name: 5-benzamido-1-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d][1,3]thiazole-3-carboxamide Openeye Name: 5-benzamido-1-tert-butyl-N-(4-pyridylmethyl)pyrazolo[3,4-d]thiazole-3-carboxamide CAS Name: 5-benzamido-1-tert-butyl-N-(pyridin-4-ylmethyl)-3-pyrazolo[3,4-d]thiazolecarboxamide IUPAC Name: 5-benzamido-1-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d][1,3]thiazole-3-carboxamide Traditional Name: 5-benzamido-1-tert-butyl-N-(4-pyridylmethyl)pyrazolo[3,4-d]thiazole-3-carboxamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C(=N1)C(=O)NCC3=CC=NC=C3)SC(=N2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1C2=C(C(=N1)C(=O)NCC3=CC=NC=C3)SC(=N2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N6O2S/c1-22(2,3)28-18-17(16(27-28)20(30)24-13-14-9-11-23-12-10-14)31-21(25-18)26-19(29)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,24,30)(H,25,26,29)