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

Systemtic Name: 1-[(3-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(3-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(3-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(3-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3-fluorobenzyl)-8-(2-hydroxyethylamino)-3,7-dimethyl-xanthine Formula: C16H18FN5O3 MolecularWeight: 347.344223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)CC3=CC(=CC=C3)F)C

Isomeric SMILES

CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)CC3=CC(=CC=C3)F)C

InChI

InChI=1S/C16H18FN5O3/c1-20-12-13(19-15(20)18-6-7-23)21(2)16(25)22(14(12)24)9-10-4-3-5-11(17)8-10/h3-5,8,23H,6-7,9H2,1-2H3,(H,18,19)