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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C1=CC=CC=C1)N2CCN(CC2)C3=NC=NC4=C3N=CN4CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C=CC(C1=CC=CC=C1)N2CCN(CC2)C3=NC=NC4=C3N=CN4CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H26N6O2/c1-2-21(20-6-4-3-5-7-20)30-10-12-31(13-11-30)25-24-26(28-16-27-25)32(17-29-24)15-19-8-9-22-23(14-19)34-18-33-22/h2-9,14,16-17,21H,1,10-13,15,18H2