5-benzamido-1-tert-butyl-N-methyl-N-[(1R,2R)-2-oxidanylcyclopentyl]pyrazolo[3,4-d][1,3]thiazole-3-carboxamide

Systemtic Name: 5-benzamido-1-tert-butyl-N-methyl-N-[(1R,2R)-2-oxidanylcyclopentyl]pyrazolo[3,4-d][1,3]thiazole-3-carboxamide Openeye Name: 5-benzamido-1-tert-butyl-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-pyrazolo[3,4-d]thiazole-3-carboxamide CAS Name: 5-benzamido-1-tert-butyl-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-3-pyrazolo[3,4-d]thiazolecarboxamide IUPAC Name: 5-benzamido-1-tert-butyl-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylpyrazolo[3,4-d][1,3]thiazole-3-carboxamide Traditional Name: 5-benzamido-1-tert-butyl-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-pyrazolo[3,4-d]thiazole-3-carboxamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C(=N1)C(=O)N(C)C3CCCC3O)SC(=N2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1C2=C(C(=N1)C(=O)N(C)[C@@H]3CCC[C@H]3O)SC(=N2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O3S/c1-22(2,3)27-18-17(16(25-27)20(30)26(4)14-11-8-12-15(14)28)31-21(23-18)24-19(29)13-9-6-5-7-10-13/h5-7,9-10,14-15,28H,8,11-12H2,1-4H3,(H,23,24,29)/t14-,15-/m1/s1