(2S)-1-[4-(diphenylmethyl)piperazin-1-yl]-3-(6-pyrazol-1-ylpurin-9-yl)propan-2-ol

Systemtic Name: (2S)-1-[4-(diphenylmethyl)piperazin-1-yl]-3-(6-pyrazol-1-ylpurin-9-yl)propan-2-ol Openeye Name: (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(6-pyrazol-1-ylpurin-9-yl)propan-2-ol CAS Name: (2S)-1-[4-(diphenylmethyl)-1-piperazinyl]-3-[6-(1-pyrazolyl)-9-purinyl]-2-propanol IUPAC Name: (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(6-pyrazol-1-ylpurin-9-yl)propan-2-ol Traditional Name: (2S)-1-(4-benzhydrylpiperazino)-3-(6-pyrazol-1-ylpurin-9-yl)propan-2-ol Formula: C28H30N8O MolecularWeight: 494.5908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C=NC3=C2N=CN=C3N4C=CC=N4)O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C[C@@H](CN2C=NC3=C2N=CN=C3N4C=CC=N4)O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H30N8O/c37-24(19-35-21-31-25-27(35)29-20-30-28(25)36-13-7-12-32-36)18-33-14-16-34(17-15-33)26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,20-21,24,26,37H,14-19H2/t24-/m0/s1