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

Systemtic Name: 3-butyl-8-[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-ethoxy-phenyl]-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-[4-[(2-chloro-6-fluoro-phenyl)methoxy]-3-ethoxy-phenyl]-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-[4-(2-chloro-6-fluoro-benzyl)oxy-3-ethoxy-phenyl]-7-methyl-xanthine Formula: C25H26ClFN4O4 MolecularWeight: 500.949743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC4=C(C=CC=C4Cl)F)OCC)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC4=C(C=CC=C4Cl)F)OCC)C

InChI

InChI=1S/C25H26ClFN4O4/c1-4-6-12-31-23-21(24(32)29-25(31)33)30(3)22(28-23)15-10-11-19(20(13-15)34-5-2)35-14-16-17(26)8-7-9-18(16)27/h7-11,13H,4-6,12,14H2,1-3H3,(H,29,32,33)