5-[2-(2-bromanyl-4-chloranyl-phenoxy)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[2-(2-bromanyl-4-chloranyl-phenoxy)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(2-bromo-4-chloro-phenoxy)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(2-bromo-4-chlorophenoxy)ethyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(2-bromo-4-chlorophenoxy)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(2-bromo-4-chloro-phenoxy)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H12BrClN4O2 MolecularWeight: 383.62768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCOC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCOC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C14H12BrClN4O2/c1-19-13-10(7-18-19)14(21)20(8-17-13)4-5-22-12-3-2-9(16)6-11(12)15/h2-3,6-8H,4-5H2,1H3