7-[2-[(3-bromanyl-5-chloranyl-2-ethoxy-phenyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[(3-bromanyl-5-chloranyl-2-ethoxy-phenyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(3-bromo-5-chloro-2-ethoxy-anilino)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(3-bromo-5-chloro-2-ethoxyanilino)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(3-bromo-5-chloro-2-ethoxyanilino)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(3-bromo-5-chloro-2-ethoxy-anilino)ethyl]-1,3-dimethyl-xanthine Formula: C17H19BrClN5O3 MolecularWeight: 456.72146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)Cl)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)Cl)Br

InChI

InChI=1S/C17H19BrClN5O3/c1-4-27-14-11(18)7-10(19)8-12(14)20-5-6-24-9-21-15-13(24)16(25)23(3)17(26)22(15)2/h7-9,20H,4-6H2,1-3H3