4-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[2-(4-bromophenyl)sulfonylethylthio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(2-brosylethylthio)-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C14H13BrN4O2S2 MolecularWeight: 413.31262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C14H13BrN4O2S2/c1-19-13-12(8-18-19)14(17-9-16-13)22-6-7-23(20,21)11-4-2-10(15)3-5-11/h2-5,8-9H,6-7H2,1H3