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

Systemtic Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol Openeye Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol CAS Name: 1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-3-[6-(1-pyrrolyl)-9-purinyl]-2-propanol IUPAC Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol Traditional Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazino]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol Formula: C29H29F2N7O MolecularWeight: 529.583666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29F2N7O/c30-23-7-3-21(4-8-23)27(22-5-9-24(31)10-6-22)36-15-13-35(14-16-36)17-25(39)18-38-20-34-26-28(32-19-33-29(26)38)37-11-1-2-12-37/h1-12,19-20,25,27,39H,13-18H2