8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[(3-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[(3-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C23H22FN5O2 MolecularWeight: 419.451483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC4=CC=CC=C4C3)CC5=CC(=CC=C5)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC4=CC=CC=C4C3)CC5=CC(=CC=C5)F

InChI

InChI=1S/C23H22FN5O2/c1-26-20-19(21(30)27(2)23(26)31)29(13-15-6-5-9-18(24)12-15)22(25-20)28-11-10-16-7-3-4-8-17(16)14-28/h3-9,12H,10-11,13-14H2,1-2H3