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

Systemtic Name: 8-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-3-butyl-7-methyl-purine-2,6-dione Openeye Name: 8-(3-bromo-4-ethoxy-5-methoxy-phenyl)-3-butyl-7-methyl-purine-2,6-dione CAS Name: 8-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-butyl-7-methylpurine-2,6-dione IUPAC Name: 8-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-butyl-7-methylpurine-2,6-dione Traditional Name: 8-(3-bromo-4-ethoxy-5-methoxy-phenyl)-3-butyl-7-methyl-xanthine Formula: C19H23BrN4O4 MolecularWeight: 451.31432

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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)OCC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN4O4/c1-5-7-8-24-17-14(18(25)22-19(24)26)23(3)16(21-17)11-9-12(20)15(28-6-2)13(10-11)27-4/h9-10H,5-8H2,1-4H3,(H,22,25,26)