1-[4-(diphenylmethyl)piperazin-1-yl]-3-[6-(2-phenylethynyl)purin-9-yl]propan-2-ol

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-[6-(2-phenylethynyl)purin-9-yl]propan-2-ol Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-phenylethynyl)purin-9-yl]propan-2-ol CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-[6-(2-phenylethynyl)-9-purinyl]-2-propanol IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-phenylethynyl)purin-9-yl]propan-2-ol Traditional Name: 1-(4-benzhydrylpiperazino)-3-[6-(2-phenylethynyl)purin-9-yl]propan-2-ol Formula: C33H32N6O MolecularWeight: 528.64678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C=NC3=C(N=CN=C32)C#CC4=CC=CC=C4)O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC(CN2C=NC3=C(N=CN=C32)C#CC4=CC=CC=C4)O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H32N6O/c40-29(23-39-25-36-31-30(34-24-35-33(31)39)17-16-26-10-4-1-5-11-26)22-37-18-20-38(21-19-37)32(27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,24-25,29,32,40H,18-23H2