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

Systemtic Name: 8-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-3-butyl-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-[4-(difluoromethoxy)-3-methoxy-phenyl]-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-[4-(difluoromethoxy)-3-methoxy-phenyl]-7-methyl-xanthine Formula: C18H20F2N4O4 MolecularWeight: 394.372606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OC(F)F)OC)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OC(F)F)OC)C

InChI

InChI=1S/C18H20F2N4O4/c1-4-5-8-24-15-13(16(25)22-18(24)26)23(2)14(21-15)10-6-7-11(28-17(19)20)12(9-10)27-3/h6-7,9,17H,4-5,8H2,1-3H3,(H,22,25,26)