3-butyl-8-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-7-methyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(2-chloro-4-fluoro-phenoxy)methyl]-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-[(2-chloro-4-fluorophenoxy)methyl]-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(2-chloro-4-fluorophenoxy)methyl]-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-[(2-chloro-4-fluoro-phenoxy)methyl]-7-methyl-xanthine Formula: C17H18ClFN4O3 MolecularWeight: 380.801223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=C(C=C(C=C3)F)Cl)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=C(C=C(C=C3)F)Cl)C

InChI

InChI=1S/C17H18ClFN4O3/c1-3-4-7-23-15-14(16(24)21-17(23)25)22(2)13(20-15)9-26-12-6-5-10(19)8-11(12)18/h5-6,8H,3-4,7,9H2,1-2H3,(H,21,24,25)