9-(1,3-benzodioxol-5-ylmethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]purine

Systemtic Name: 9-(1,3-benzodioxol-5-ylmethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]purine Openeye Name: 9-(1,3-benzodioxol-5-ylmethyl)-6-[4-[(E)-cinnamyl]piperazin-1-yl]purine CAS Name: 9-(1,3-benzodioxol-5-ylmethyl)-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]purine IUPAC Name: 9-(1,3-benzodioxol-5-ylmethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]purine Traditional Name: 6-[4-[(E)-cinnamyl]piperazino]-9-piperonyl-purine Formula: C26H26N6O2 MolecularWeight: 454.52364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C3=NC=NC4=C3N=CN4CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C3=NC=NC4=C3N=CN4CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H26N6O2/c1-2-5-20(6-3-1)7-4-10-30-11-13-31(14-12-30)25-24-26(28-17-27-25)32(18-29-24)16-21-8-9-22-23(15-21)34-19-33-22/h1-9,15,17-18H,10-14,16,19H2/b7-4+