3-methyl-1-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-6-propyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 3-methyl-1-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-methyl-1-phenyl-6-propyl-4-[4-[(E)-styryl]sulfonylpiperazin-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 3-methyl-1-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 3-methyl-1-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 3-methyl-1-phenyl-6-propyl-4-[4-[(E)-styryl]sulfonylpiperazino]pyrazolo[3,4-d]pyrimidine Formula: C27H30N6O2S MolecularWeight: 502.6311

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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)C=CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6O2S/c1-3-10-24-28-26(25-21(2)30-33(27(25)29-24)23-13-8-5-9-14-23)31-16-18-32(19-17-31)36(34,35)20-15-22-11-6-4-7-12-22/h4-9,11-15,20H,3,10,16-19H2,1-2H3/b20-15+