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

Systemtic Name: (2S)-1-[4-(diphenylmethyl)piperazin-1-yl]-3-(6-pyridin-4-ylpurin-9-yl)propan-2-ol Openeye Name: (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-[6-(4-pyridyl)purin-9-yl]propan-2-ol CAS Name: (2S)-1-[4-(diphenylmethyl)-1-piperazinyl]-3-(6-pyridin-4-yl-9-purinyl)-2-propanol IUPAC Name: (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(6-pyridin-4-ylpurin-9-yl)propan-2-ol Traditional Name: (2S)-1-(4-benzhydrylpiperazino)-3-[6-(4-pyridyl)purin-9-yl]propan-2-ol Formula: C30H31N7O MolecularWeight: 505.61344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCN1C[C@@H](CN2C=NC3=C(N=CN=C32)C4=CC=NC=C4)O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H31N7O/c38-26(20-37-22-34-28-27(32-21-33-30(28)37)23-11-13-31-14-12-23)19-35-15-17-36(18-16-35)29(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,21-22,26,29,38H,15-20H2/t26-/m0/s1