8-(2-fluoranylphenoxy)-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-(2-fluoranylphenoxy)-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(2-fluorophenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-fluorophenoxy)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(2-fluorophenoxy)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(2-fluorophenoxy)-1,3-dimethyl-xanthine Formula: C16H15FN4O3 MolecularWeight: 330.313703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3F)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3F)CC=C

InChI

InChI=1S/C16H15FN4O3/c1-4-9-21-12-13(19(2)16(23)20(3)14(12)22)18-15(21)24-11-8-6-5-7-10(11)17/h4-8H,1,9H2,2-3H3