8-chloranyl-7-[3-(4-fluoranylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[3-(4-fluoranylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[3-(4-fluorophenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[3-(4-fluorophenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[3-(4-fluorophenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[3-(4-fluorophenoxy)propyl]-1,3-dimethyl-xanthine Formula: C16H16ClFN4O3 MolecularWeight: 366.774643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCCOC3=CC=C(C=C3)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C16H16ClFN4O3/c1-20-13-12(14(23)21(2)16(20)24)22(15(17)19-13)8-3-9-25-11-6-4-10(18)5-7-11/h4-7H,3,8-9H2,1-2H3