1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3-fluoro-4-methoxy-benzyl)-3,7-dimethyl-xanthine Formula: C15H15FN4O3 MolecularWeight: 318.303003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15FN4O3/c1-18-8-17-13-12(18)14(21)20(15(22)19(13)2)7-9-4-5-11(23-3)10(16)6-9/h4-6,8H,7H2,1-3H3