8-(diethylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(diethylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(diethylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(diethylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(diethylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(diethylamino)-7-(4-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C18H22FN5O2 MolecularWeight: 359.397983

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H22FN5O2/c1-5-23(6-2)17-20-15-14(16(25)22(4)18(26)21(15)3)24(17)11-12-7-9-13(19)10-8-12/h7-10H,5-6,11H2,1-4H3