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

Systemtic Name: 3-methyl-1-phenyl-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-benzylsulfonylpiperazin-1-yl)-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 3-methyl-1-phenyl-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-benzylsulfonylpiperazino)-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C26H30N6O2S MolecularWeight: 490.6204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H30N6O2S/c1-3-10-23-27-25(24-20(2)29-32(26(24)28-23)22-13-8-5-9-14-22)30-15-17-31(18-16-30)35(33,34)19-21-11-6-4-7-12-21/h4-9,11-14H,3,10,15-19H2,1-2H3