1-[4-[phenyl(pyridin-4-yl)methyl]piperazin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol

Systemtic Name: 1-[4-[phenyl(pyridin-4-yl)methyl]piperazin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol Openeye Name: 1-[4-[phenyl(4-pyridyl)methyl]piperazin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol CAS Name: 1-[4-[phenyl(pyridin-4-yl)methyl]-1-piperazinyl]-3-[6-(1-pyrrolyl)-9-purinyl]-2-propanol IUPAC Name: 1-[4-[phenyl(pyridin-4-yl)methyl]piperazin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol Traditional Name: 1-[4-[phenyl(4-pyridyl)methyl]piperazino]-3-(6-pyrrol-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=C4)O)C(C5=CC=CC=C5)C6=CC=NC=C6

Isomeric SMILES

C1CN(CCN1CC(CN2C=NC3=C2N=CN=C3N4C=CC=C4)O)C(C5=CC=CC=C5)C6=CC=NC=C6

InChI

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