8-(3-bromanyl-4,5-dimethoxy-phenyl)-3-butyl-7-methyl-purine-2,6-dione

Systemtic Name: 8-(3-bromanyl-4,5-dimethoxy-phenyl)-3-butyl-7-methyl-purine-2,6-dione Openeye Name: 8-(3-bromo-4,5-dimethoxy-phenyl)-3-butyl-7-methyl-purine-2,6-dione CAS Name: 8-(3-bromo-4,5-dimethoxyphenyl)-3-butyl-7-methylpurine-2,6-dione IUPAC Name: 8-(3-bromo-4,5-dimethoxyphenyl)-3-butyl-7-methylpurine-2,6-dione Traditional Name: 8-(3-bromo-4,5-dimethoxy-phenyl)-3-butyl-7-methyl-xanthine Formula: C18H21BrN4O4 MolecularWeight: 437.28774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN4O4/c1-5-6-7-23-16-13(17(24)21-18(23)25)22(2)15(20-16)10-8-11(19)14(27-4)12(9-10)26-3/h8-9H,5-7H2,1-4H3,(H,21,24,25)