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

Systemtic Name: 7-decyl-8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-decyl-8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-decyl-8-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-decyl-8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-decyl-8-[[4-(2-fluorophenyl)piperazino]methyl]-1,3-dimethyl-xanthine Formula: C28H41FN6O2 MolecularWeight: 512.662543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C28H41FN6O2/c1-4-5-6-7-8-9-10-13-16-35-24(30-26-25(35)27(36)32(3)28(37)31(26)2)21-33-17-19-34(20-18-33)23-15-12-11-14-22(23)29/h11-12,14-15H,4-10,13,16-21H2,1-3H3