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

Systemtic Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylamino)purine-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylamino)purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylamino)purine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylamino)purine-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-1,3-dimethyl-8-(3-phenylpropylamino)xanthine Formula: C23H24FN5O2 MolecularWeight: 421.467363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCC3=CC=CC=C3)CC4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCC3=CC=CC=C3)CC4=CC=CC=C4F

InChI

InChI=1S/C23H24FN5O2/c1-27-20-19(21(30)28(2)23(27)31)29(15-17-12-6-7-13-18(17)24)22(26-20)25-14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13H,8,11,14-15H2,1-2H3,(H,25,26)