ethyl 3-[4-[8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-yl]piperazin-1-yl]propanoate

Systemtic Name: ethyl 3-[4-[8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-yl]piperazin-1-yl]propanoate Openeye Name: ethyl 3-[4-[8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-yl]piperazin-1-yl]propanoate CAS Name: 3-[4-[8-(4-fluorophenyl)-2-methyl-9-propyl-6-purinyl]-1-piperazinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[8-(4-fluorophenyl)-2-methyl-9-propylpurin-6-yl]piperazin-1-yl]propanoate Traditional Name: 3-[4-[8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-yl]piperazino]propionic acid ethyl ester Formula: C24H31FN6O2 MolecularWeight: 454.540343

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C)N3CCN(CC3)CCC(=O)OCC)N=C1C4=CC=C(C=C4)F

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C)N3CCN(CC3)CCC(=O)OCC)N=C1C4=CC=C(C=C4)F

InChI

InChI=1S/C24H31FN6O2/c1-4-11-31-22(18-6-8-19(25)9-7-18)28-21-23(26-17(3)27-24(21)31)30-15-13-29(14-16-30)12-10-20(32)33-5-2/h6-9H,4-5,10-16H2,1-3H3