1-[4-(phenylmethyl)piperazin-1-yl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(4-benzylpiperazino)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C24H24N6OS MolecularWeight: 444.55196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C24H24N6OS/c31-22(29-13-11-28(12-14-29)16-19-7-3-1-4-8-19)17-32-24-21-15-27-30(23(21)25-18-26-24)20-9-5-2-6-10-20/h1-10,15,18H,11-14,16-17H2