3-methyl-1-phenyl-4-[4-(phenylsulfonyl)piperazin-1-yl]-6-propyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 3-methyl-1-phenyl-4-[4-(phenylsulfonyl)piperazin-1-yl]-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-besylpiperazino)-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C25H28N6O2S MolecularWeight: 476.59382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H28N6O2S/c1-3-10-22-26-24(23-19(2)28-31(25(23)27-22)20-11-6-4-7-12-20)29-15-17-30(18-16-29)34(32,33)21-13-8-5-9-14-21/h4-9,11-14H,3,10,15-18H2,1-2H3