4-[2-(4-bromanylphenoxy)ethylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[2-(4-bromanylphenoxy)ethylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[2-(4-bromophenoxy)ethylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[2-(4-bromophenoxy)ethylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[2-(4-bromophenoxy)ethylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[2-(4-bromophenoxy)ethylthio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C19H15BrN4OS MolecularWeight: 427.3176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCOC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCOC4=CC=C(C=C4)Br

InChI

InChI=1S/C19H15BrN4OS/c20-14-6-8-16(9-7-14)25-10-11-26-19-17-12-23-24(18(17)21-13-22-19)15-4-2-1-3-5-15/h1-9,12-13H,10-11H2