7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-8-nitro-xanthine Formula: C14H11ClFN5O4 MolecularWeight: 367.719643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C14H11ClFN5O4/c1-18-11-10(12(22)19(2)14(18)23)20(13(17-11)21(24)25)6-7-8(15)4-3-5-9(7)16/h3-5H,6H2,1-2H3