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

Systemtic Name: (2S)-1-[4-(diphenylmethyl)piperazin-1-yl]-3-(6-pyrrol-1-ylpurin-3-yl)propan-2-ol Openeye Name: (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-3-yl)propan-2-ol CAS Name: (2S)-1-[4-(diphenylmethyl)-1-piperazinyl]-3-[6-(1-pyrrolyl)-3-purinyl]-2-propanol IUPAC Name: (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-3-yl)propan-2-ol Traditional Name: (2S)-1-(4-benzhydrylpiperazino)-3-(6-pyrrol-1-ylpurin-3-yl)propan-2-ol Formula: C29H31N7O MolecularWeight: 493.60274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C=NC(=C3C2=NC=N3)N4C=CC=C4)O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C[C@@H](CN2C=NC(=C3C2=NC=N3)N4C=CC=C4)O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H31N7O/c37-25(20-36-22-32-29(35-13-7-8-14-35)26-28(36)31-21-30-26)19-33-15-17-34(18-16-33)27(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,21-22,25,27,37H,15-20H2/t25-/m0/s1