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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H27FN6O2/c1-24-15-23-19-18(24)20(29)28(21(30)25(19)2)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