7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-olate

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-olate Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-olate CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinolate IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-olate Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-2,6-diketo-1,3-dimethyl-purin-8-olate Formula: C14H11ClFN4O3- MolecularWeight: 337.713543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClFN4O3/c1-18-11-10(12(21)19(2)14(18)23)20(13(22)17-11)6-7-8(15)4-3-5-9(7)16/h3-5H,6H2,1-2H3,(H,17,22)/p-1