3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridin-4-yl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(1-propan-2-yl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridin-4-yl]methanone Formula: C23H22N4OS2 MolecularWeight: 434.57698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)N4CCCSC5=CC=CC=C54

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)N4CCCSC5=CC=CC=C54

InChI

InChI=1S/C23H22N4OS2/c1-15(2)27-22-17(14-24-27)16(13-18(25-22)20-9-5-11-29-20)23(28)26-10-6-12-30-21-8-4-3-7-19(21)26/h3-5,7-9,11,13-15H,6,10,12H2,1-2H3