1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H23N9OS2 MolecularWeight: 469.58632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CSC4=NN=CN4CCC5=CC=CS5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CSC4=NN=CN4CCC5=CC=CS5

InChI

InChI=1S/C20H23N9OS2/c1-26-18-16(11-24-26)19(22-13-21-18)28-8-6-27(7-9-28)17(30)12-32-20-25-23-14-29(20)5-4-15-3-2-10-31-15/h2-3,10-11,13-14H,4-9,12H2,1H3