1-(2-bromanyl-2-phenyl-ethyl)-6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(2-bromanyl-2-phenyl-ethyl)-6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(2-bromo-2-phenyl-ethyl)-6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(2-bromo-2-phenylethyl)-6-(methylthio)-4-(1-piperidinyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(2-bromo-2-phenylethyl)-6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-(2-bromo-2-phenyl-ethyl)-6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidine Formula: C19H22BrN5S MolecularWeight: 432.38048

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Br)C(=N1)N4CCCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Br)C(=N1)N4CCCCC4

InChI

InChI=1S/C19H22BrN5S/c1-26-19-22-17(24-10-6-3-7-11-24)15-12-21-25(18(15)23-19)13-16(20)14-8-4-2-5-9-14/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3