9-prop-2-enyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]purine

Systemtic Name: 9-prop-2-enyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]purine Openeye Name: 9-allyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]purine CAS Name: 9-prop-2-enyl-2-[4-(3,3,3-triphenylpropyl)-1-piperazinyl]purine IUPAC Name: 9-prop-2-enyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]purine Traditional Name: 9-allyl-2-[4-(3,3,3-triphenylpropyl)piperazino]purine Formula: C33H34N6 MolecularWeight: 514.66326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NC2=CN=C(N=C21)N3CCN(CC3)CCC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C=CCN1C=NC2=CN=C(N=C21)N3CCN(CC3)CCC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H34N6/c1-2-19-39-26-35-30-25-34-32(36-31(30)39)38-23-21-37(22-24-38)20-18-33(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h2-17,25-26H,1,18-24H2