5-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-keto-2-(4-tosylpiperazino)ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C24H24N6O4S MolecularWeight: 492.55016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

InChI

InChI=1S/C24H24N6O4S/c1-18-7-9-20(10-8-18)35(33,34)29-13-11-27(12-14-29)22(31)16-28-17-25-23-21(24(28)32)15-26-30(23)19-5-3-2-4-6-19/h2-10,15,17H,11-14,16H2,1H3