6-cyclopropyl-1-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-cyclopropyl-1-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 6-cyclopropyl-1-(4-methoxyphenyl)-4-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 6-cyclopropyl-1-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-cyclopropyl-1-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[3,4-d]pyrimidine Traditional Name: 6-cyclopropyl-1-(4-methoxyphenyl)-4-(4-tosylpiperazino)pyrazolo[3,4-d]pyrimidine Formula: C26H28N6O3S MolecularWeight: 504.60392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=C(C=C5)OC)C6CC6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=C(C=C5)OC)C6CC6

InChI

InChI=1S/C26H28N6O3S/c1-18-3-11-22(12-4-18)36(33,34)31-15-13-30(14-16-31)25-23-17-27-32(20-7-9-21(35-2)10-8-20)26(23)29-24(28-25)19-5-6-19/h3-4,7-12,17,19H,5-6,13-16H2,1-2H3