8-[2-(4-fluoranyl-3-methoxy-phenyl)ethynyl]-3,7-dimethyl-1-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 8-[2-(4-fluoranyl-3-methoxy-phenyl)ethynyl]-3,7-dimethyl-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 8-[2-(4-fluoro-3-methoxy-phenyl)ethynyl]-3,7-dimethyl-1-prop-2-ynyl-purine-2,6-dione CAS Name: 8-[2-(4-fluoro-3-methoxyphenyl)ethynyl]-3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 8-[2-(4-fluoro-3-methoxyphenyl)ethynyl]-3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione Traditional Name: 8-[2-(4-fluoro-3-methoxy-phenyl)ethynyl]-3,7-dimethyl-1-propargyl-xanthine Formula: C19H15FN4O3 MolecularWeight: 366.345803

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)CC#C)C#CC3=CC(=C(C=C3)F)OC

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)CC#C)C#CC3=CC(=C(C=C3)F)OC

InChI

InChI=1S/C19H15FN4O3/c1-5-10-24-18(25)16-17(23(3)19(24)26)21-15(22(16)2)9-7-12-6-8-13(20)14(11-12)27-4/h1,6,8,11H,10H2,2-4H3