2-[4-(diphenylmethyl)piperazin-1-yl]-9-prop-2-enyl-purine

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-yl]-9-prop-2-enyl-purine Openeye Name: 9-allyl-2-(4-benzhydrylpiperazin-1-yl)purine CAS Name: 2-[4-(diphenylmethyl)-1-piperazinyl]-9-prop-2-enylpurine IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-9-prop-2-enylpurine Traditional Name: 9-allyl-2-(4-benzhydrylpiperazino)purine Formula: C25H26N6 MolecularWeight: 410.51414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N6/c1-2-13-31-19-27-22-18-26-25(28-24(22)31)30-16-14-29(15-17-30)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h2-12,18-19,23H,1,13-17H2