3-tert-butyl-1-phenyl-5-[(thiophen-2-ylmethylamino)methyl]-4,5,7,7a-tetrahydro-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 3-tert-butyl-1-phenyl-5-[(thiophen-2-ylmethylamino)methyl]-4,5,7,7a-tetrahydro-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 3-tert-butyl-1-phenyl-5-[(2-thienylmethylamino)methyl]-4,5,7,7a-tetrahydro-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 3-tert-butyl-1-phenyl-5-[(thiophen-2-ylmethylamino)methyl]-4,5,7,7a-tetrahydro-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 3-tert-butyl-1-phenyl-5-[(thiophen-2-ylmethylamino)methyl]-4,5,7,7a-tetrahydro-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 3-tert-butyl-1-phenyl-5-[(2-thenylamino)methyl]-4,5,7,7a-tetrahydro-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2CC(C(=O)NC2N(N1)C3=CC=CC=C3)CNCC4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=C2CC(C(=O)NC2N(N1)C3=CC=CC=C3)CNCC4=CC=CS4

InChI

InChI=1S/C22H28N4OS/c1-22(2,3)19-18-12-15(13-23-14-17-10-7-11-28-17)21(27)24-20(18)26(25-19)16-8-5-4-6-9-16/h4-11,15,20,23,25H,12-14H2,1-3H3,(H,24,27)