3-methyl-6-[(4-methylphenyl)methyl]-4-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 3-methyl-6-[(4-methylphenyl)methyl]-4-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-6-(p-tolylmethyl)pyrazolo[3,4-d]pyrimidine CAS Name: 3-methyl-6-[(4-methylphenyl)methyl]-4-(4-methylsulfonyl-1-piperazinyl)-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 3-methyl-6-[(4-methylphenyl)methyl]-4-(4-methylsulfonylpiperazin-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-mesylpiperazino)-3-methyl-6-(4-methylbenzyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C25H28N6O2S MolecularWeight: 476.59382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NC3=C(C(=NN3C4=CC=CC=C4)C)C(=N2)N5CCN(CC5)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NC3=C(C(=NN3C4=CC=CC=C4)C)C(=N2)N5CCN(CC5)S(=O)(=O)C

InChI

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