4-[(3-bromophenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(3-bromophenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(3-bromophenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(3-bromophenyl)methylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(3-bromophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(3-bromobenzyl)thio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C18H13BrN4S MolecularWeight: 397.29162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C18H13BrN4S/c19-14-6-4-5-13(9-14)11-24-18-16-10-22-23(17(16)20-12-21-18)15-7-2-1-3-8-15/h1-10,12H,11H2