4-[2-(2-bromanyl-4-chloranyl-phenoxy)ethylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[2-(2-bromanyl-4-chloranyl-phenoxy)ethylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[2-(2-bromo-4-chloro-phenoxy)ethylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[2-(2-bromo-4-chlorophenoxy)ethylthio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[2-(2-bromo-4-chlorophenoxy)ethylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[2-(2-bromo-4-chloro-phenoxy)ethylthio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C14H12BrClN4OS MolecularWeight: 399.69328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCCOC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCCOC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C14H12BrClN4OS/c1-20-13-10(7-19-20)14(18-8-17-13)22-5-4-21-12-3-2-9(16)6-11(12)15/h2-3,6-8H,4-5H2,1H3