1-[3-(5-fluoranyl-2-nitro-phenoxy)propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-(5-fluoranyl-2-nitro-phenoxy)propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(5-fluoro-2-nitro-phenoxy)propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-(5-fluoro-2-nitrophenoxy)propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(5-fluoro-2-nitrophenoxy)propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-(5-fluoro-2-nitro-phenoxy)propyl]-3,7-dimethyl-xanthine Formula: C16H16FN5O5 MolecularWeight: 377.327143

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H16FN5O5/c1-19-9-18-14-13(19)15(23)21(16(24)20(14)2)6-3-7-27-12-8-10(17)4-5-11(12)22(25)26/h4-5,8-9H,3,6-7H2,1-2H3