1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylamino)propan-2-ol

Systemtic Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylamino)propan-2-ol Openeye Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylamino)propan-2-ol CAS Name: 1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-3-(7H-purin-6-ylamino)-2-propanol IUPAC Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylamino)propan-2-ol Traditional Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazino]-3-(7H-purin-6-ylamino)propan-2-ol Formula: C25H27F2N7O MolecularWeight: 479.524986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CNC2=NC=NC3=C2NC=N3)O)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CC(CNC2=NC=NC3=C2NC=N3)O)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H27F2N7O/c26-19-5-1-17(2-6-19)23(18-3-7-20(27)8-4-18)34-11-9-33(10-12-34)14-21(35)13-28-24-22-25(30-15-29-22)32-16-31-24/h1-8,15-16,21,23,35H,9-14H2,(H2,28,29,30,31,32)