2-(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2,3-dihydroinden-1-one

Systemtic Name: 2-(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2,3-dihydroinden-1-one Openeye Name: 2-(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylindan-1-one CAS Name: 2-[(1-phenyl-6-propan-2-yl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-2,3-dihydroinden-1-one IUPAC Name: 2-(1-phenyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2,3-dihydroinden-1-one Traditional Name: 2-[(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]indan-1-one Formula: C23H20N4OS MolecularWeight: 400.4961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SC4CC5=CC=CC=C5C4=O

Isomeric SMILES

CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SC4CC5=CC=CC=C5C4=O

InChI

InChI=1S/C23H20N4OS/c1-14(2)21-25-22-18(13-24-27(22)16-9-4-3-5-10-16)23(26-21)29-19-12-15-8-6-7-11-17(15)20(19)28/h3-11,13-14,19H,12H2,1-2H3