8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-nonyl-purine-2,6-dione

Systemtic Name: 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-nonyl-purine-2,6-dione Openeye Name: 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-nonyl-purine-2,6-dione CAS Name: 8-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-1,3-dimethyl-7-nonylpurine-2,6-dione IUPAC Name: 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-nonylpurine-2,6-dione Traditional Name: 8-[[4-(4-fluorophenyl)piperazino]methyl]-1,3-dimethyl-7-nonyl-xanthine Formula: C27H39FN6O2 MolecularWeight: 498.635963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H39FN6O2/c1-4-5-6-7-8-9-10-15-34-23(29-25-24(34)26(35)31(3)27(36)30(25)2)20-32-16-18-33(19-17-32)22-13-11-21(28)12-14-22/h11-14H,4-10,15-20H2,1-3H3