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

Systemtic Name: 8-[(2-bromanyl-4-methyl-phenoxy)methyl]-3-butyl-7-cyclopentyl-purine-2,6-dione Openeye Name: 8-[(2-bromo-4-methyl-phenoxy)methyl]-3-butyl-7-cyclopentyl-purine-2,6-dione CAS Name: 8-[(2-bromo-4-methylphenoxy)methyl]-3-butyl-7-cyclopentylpurine-2,6-dione IUPAC Name: 8-[(2-bromo-4-methylphenoxy)methyl]-3-butyl-7-cyclopentylpurine-2,6-dione Traditional Name: 8-[(2-bromo-4-methyl-phenoxy)methyl]-3-butyl-7-cyclopentyl-xanthine Formula: C22H27BrN4O3 MolecularWeight: 475.37878

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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)C)Br)C4CCCC4

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=C(C=C(C=C3)C)Br)C4CCCC4

InChI

InChI=1S/C22H27BrN4O3/c1-3-4-11-26-20-19(21(28)25-22(26)29)27(15-7-5-6-8-15)18(24-20)13-30-17-10-9-14(2)12-16(17)23/h9-10,12,15H,3-8,11,13H2,1-2H3,(H,25,28,29)