3-tert-butyl-1-(4-chlorophenyl)-5-[(thiophen-2-ylmethylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 3-tert-butyl-1-(4-chlorophenyl)-5-[(thiophen-2-ylmethylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 3-tert-butyl-1-(4-chlorophenyl)-5-[(2-thienylmethylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 3-tert-butyl-1-(4-chlorophenyl)-5-[(thiophen-2-ylmethylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 3-tert-butyl-1-(4-chlorophenyl)-5-[(thiophen-2-ylmethylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 3-tert-butyl-1-(4-chlorophenyl)-5-[(2-thenylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C=C(C(=O)N=C2N(N1)C3=CC=C(C=C3)Cl)CNCC4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=C2C=C(C(=O)N=C2N(N1)C3=CC=C(C=C3)Cl)CNCC4=CC=CS4

InChI

InChI=1S/C22H23ClN4OS/c1-22(2,3)19-18-11-14(12-24-13-17-5-4-10-29-17)21(28)25-20(18)27(26-19)16-8-6-15(23)7-9-16/h4-11,24,26H,12-13H2,1-3H3