8-[[3,5-bis(chloranyl)phenoxy]methyl]-3-butyl-7-ethyl-purine-2,6-dione

Systemtic Name: 8-[[3,5-bis(chloranyl)phenoxy]methyl]-3-butyl-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(3,5-dichlorophenoxy)methyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[(3,5-dichlorophenoxy)methyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(3,5-dichlorophenoxy)methyl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-[(3,5-dichlorophenoxy)methyl]-7-ethyl-xanthine Formula: C18H20Cl2N4O3 MolecularWeight: 411.2824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20Cl2N4O3/c1-3-5-6-24-16-15(17(25)22-18(24)26)23(4-2)14(21-16)10-27-13-8-11(19)7-12(20)9-13/h7-9H,3-6,10H2,1-2H3,(H,22,25,26)