1-(2-chloranyl-2-phenyl-ethyl)-6-methylsulfanyl-N-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(2-chloranyl-2-phenyl-ethyl)-6-methylsulfanyl-N-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(2-chloro-2-phenyl-ethyl)-6-methylsulfanyl-N-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(2-chloro-2-phenylethyl)-6-methylsulfanyl-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(2-chloro-2-phenyl-ethyl)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]-phenyl-amine Formula: C20H18ClN5S MolecularWeight: 395.90842

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)NC4=CC=CC=C4

Isomeric SMILES

CSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)NC4=CC=CC=C4

InChI

InChI=1S/C20H18ClN5S/c1-27-20-24-18(23-15-10-6-3-7-11-15)16-12-22-26(19(16)25-20)13-17(21)14-8-4-2-5-9-14/h2-12,17H,13H2,1H3,(H,23,24,25)