8-bromanyl-7-[3-[(5-chloranyl-2-methoxy-phenyl)amino]propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[3-[(5-chloranyl-2-methoxy-phenyl)amino]propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[3-(5-chloro-2-methoxy-anilino)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[3-(5-chloro-2-methoxyanilino)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[3-(5-chloro-2-methoxyanilino)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[3-(5-chloro-2-methoxy-anilino)propyl]-3-methyl-xanthine Formula: C16H17BrClN5O3 MolecularWeight: 442.69488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCNC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCNC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C16H17BrClN5O3/c1-22-13-12(14(24)21-16(22)25)23(15(17)20-13)7-3-6-19-10-8-9(18)4-5-11(10)26-2/h4-5,8,19H,3,6-7H2,1-2H3,(H,21,24,25)