8-bromanyl-9-[3-(4-tert-butylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[3-(4-tert-butylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[3-(4-tert-butylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[3-(4-tert-butylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[3-(4-tert-butylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[3-(4-tert-butylphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C20H25BrN4O3 MolecularWeight: 449.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C20H25BrN4O3/c1-20(2,3)13-7-9-14(10-8-13)28-12-6-11-25-16-15(22-18(25)21)17(26)24(5)19(27)23(16)4/h7-10H,6,11-12H2,1-5H3