1-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C24H25N6+ MolecularWeight: 397.4955

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C24H24N6/c1-3-8-20(9-4-1)10-7-13-28-14-16-29(17-15-28)23-22-18-27-30(24(22)26-19-25-23)21-11-5-2-6-12-21/h1-12,18-19H,13-17H2/p+1/b10-7+