N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanamide Openeye Name: N-[4-(4-fluorophenyl)thiazol-2-yl]-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide CAS Name: N-[4-(4-fluorophenyl)-2-thiazolyl]-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide Traditional Name: N-[4-(4-fluorophenyl)thiazol-2-yl]-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]acetamide Formula: C21H21FN8OS MolecularWeight: 452.507843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)NC4=NC(=CS4)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)NC4=NC(=CS4)C5=CC=C(C=C5)F

InChI

InChI=1S/C21H21FN8OS/c1-28-19-16(10-25-28)20(24-13-23-19)30-8-6-29(7-9-30)11-18(31)27-21-26-17(12-32-21)14-2-4-15(22)5-3-14/h2-5,10,12-13H,6-9,11H2,1H3,(H,26,27,31)