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

Systemtic Name: 4-(azepan-1-yl)-1-(2-chloranyl-2-phenyl-ethyl)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-1-(2-chloro-2-phenyl-ethyl)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(1-azepanyl)-1-(2-chloro-2-phenylethyl)-6-(methylthio)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-1-(2-chloro-2-phenylethyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-1-(2-chloro-2-phenyl-ethyl)-6-(methylthio)pyrazolo[3,4-d]pyrimidine Formula: C20H24ClN5S MolecularWeight: 401.95606

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)N4CCCCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)N4CCCCCC4

InChI

InChI=1S/C20H24ClN5S/c1-27-20-23-18(25-11-7-2-3-8-12-25)16-13-22-26(19(16)24-20)14-17(21)15-9-5-4-6-10-15/h4-6,9-10,13,17H,2-3,7-8,11-12,14H2,1H3