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

Systemtic Name: 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(2-bromo-4,5-dimethoxy-benzyl)thio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C15H15BrN4O2S MolecularWeight: 395.2742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C15H15BrN4O2S/c1-20-14-10(6-19-20)15(18-8-17-14)23-7-9-4-12(21-2)13(22-3)5-11(9)16/h4-6,8H,7H2,1-3H3