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

Systemtic Name: 3-[(4-fluorophenyl)methyl]-1,7-dimethyl-8-prop-2-ynoxy-purine-2,6-dione Openeye Name: 3-[(4-fluorophenyl)methyl]-1,7-dimethyl-8-prop-2-ynoxy-purine-2,6-dione CAS Name: 3-[(4-fluorophenyl)methyl]-1,7-dimethyl-8-prop-2-ynoxypurine-2,6-dione IUPAC Name: 3-[(4-fluorophenyl)methyl]-1,7-dimethyl-8-prop-2-ynoxypurine-2,6-dione Traditional Name: 3-(4-fluorobenzyl)-1,7-dimethyl-8-propargyloxy-xanthine Formula: C17H15FN4O3 MolecularWeight: 342.324403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OCC#C)N(C(=O)N(C2=O)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CN1C2=C(N=C1OCC#C)N(C(=O)N(C2=O)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN4O3/c1-4-9-25-16-19-14-13(20(16)2)15(23)21(3)17(24)22(14)10-11-5-7-12(18)8-6-11/h1,5-8H,9-10H2,2-3H3