6-[4-[(4,6-dimethoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-(4-fluorophenyl)-2-methyl-9-propyl-purine

Systemtic Name: 6-[4-[(4,6-dimethoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-(4-fluorophenyl)-2-methyl-9-propyl-purine Openeye Name: 6-[4-[(4,6-dimethoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-(4-fluorophenyl)-2-methyl-9-propyl-purine CAS Name: 6-[4-[(4,6-dimethoxy-2-pyrimidinyl)methyl]-1-piperazinyl]-8-(4-fluorophenyl)-2-methyl-9-propylpurine IUPAC Name: 6-[4-[(4,6-dimethoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-(4-fluorophenyl)-2-methyl-9-propylpurine Traditional Name: 6-[4-[(4,6-dimethoxypyrimidin-2-yl)methyl]piperazino]-8-(4-fluorophenyl)-2-methyl-9-propyl-purine Formula: C26H31FN8O2 MolecularWeight: 506.575143

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C)N3CCN(CC3)CC4=NC(=CC(=N4)OC)OC)N=C1C5=CC=C(C=C5)F

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C)N3CCN(CC3)CC4=NC(=CC(=N4)OC)OC)N=C1C5=CC=C(C=C5)F

InChI

InChI=1S/C26H31FN8O2/c1-5-10-35-24(18-6-8-19(27)9-7-18)32-23-25(28-17(2)29-26(23)35)34-13-11-33(12-14-34)16-20-30-21(36-3)15-22(31-20)37-4/h6-9,15H,5,10-14,16H2,1-4H3