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

Systemtic Name: 8-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-3-butyl-7-ethyl-purine-2,6-dione Openeye Name: 8-[(2-bromo-4-chloro-phenoxy)methyl]-3-butyl-7-ethyl-purine-2,6-dione CAS Name: 8-[(2-bromo-4-chlorophenoxy)methyl]-3-butyl-7-ethylpurine-2,6-dione IUPAC Name: 8-[(2-bromo-4-chlorophenoxy)methyl]-3-butyl-7-ethylpurine-2,6-dione Traditional Name: 8-[(2-bromo-4-chloro-phenoxy)methyl]-3-butyl-7-ethyl-xanthine Formula: C18H20BrClN4O3 MolecularWeight: 455.7334

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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)Cl)Br)CC

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrClN4O3/c1-3-5-8-24-16-15(17(25)22-18(24)26)23(4-2)14(21-16)10-27-13-7-6-11(20)9-12(13)19/h6-7,9H,3-5,8,10H2,1-2H3,(H,22,25,26)