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

Systemtic Name: 8-(azepan-1-yl)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-(2-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C20H24FN5O2 MolecularWeight: 385.435263

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CC4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CC4=CC=CC=C4F

InChI

InChI=1S/C20H24FN5O2/c1-23-17-16(18(27)24(2)20(23)28)26(13-14-9-5-6-10-15(14)21)19(22-17)25-11-7-3-4-8-12-25/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3