7-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-bromo-4,5-diethoxy-phenyl)methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-bromo-4,5-diethoxyphenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-bromo-4,5-diethoxyphenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-bromo-4,5-diethoxy-benzyl)-8-chloro-1,3-dimethyl-xanthine Formula: C18H20BrClN4O4 MolecularWeight: 471.7328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)Br)OCC

InChI

InChI=1S/C18H20BrClN4O4/c1-5-27-12-7-10(11(19)8-13(12)28-6-2)9-24-14-15(21-17(24)20)22(3)18(26)23(4)16(14)25/h7-8H,5-6,9H2,1-4H3