4-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(5-bromo-2-methoxyphenyl)methylthio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(5-bromo-2-methoxy-benzyl)thio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C14H13BrN4OS MolecularWeight: 365.24822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C14H13BrN4OS/c1-19-13-11(6-18-19)14(17-8-16-13)21-7-9-5-10(15)3-4-12(9)20-2/h3-6,8H,7H2,1-2H3