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

Systemtic Name: 7-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-[4-(4-fluorophenyl)-1-piperazinyl]butyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-[4-(4-fluorophenyl)piperazino]butyl]-1,3-dimethyl-xanthine Formula: C21H27FN6O2 MolecularWeight: 414.476483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H27FN6O2/c1-24-19-18(20(29)25(2)21(24)30)28(15-23-19)10-4-3-9-26-11-13-27(14-12-26)17-7-5-16(22)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3