7-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(3-chloro-4-fluoro-anilino)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(3-chloro-4-fluoroanilino)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(3-chloro-4-fluoroanilino)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(3-chloro-4-fluoro-anilino)ethyl]-1,3-dimethyl-xanthine Formula: C15H15ClFN5O2 MolecularWeight: 351.763303

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C15H15ClFN5O2/c1-20-13-12(14(23)21(2)15(20)24)22(8-19-13)6-5-18-9-3-4-11(17)10(16)7-9/h3-4,7-8,18H,5-6H2,1-2H3