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

Systemtic Name: N-butyl-1-[2-chloranyl-2-(4-fluorophenyl)ethyl]-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-butyl-1-[2-chloro-2-(4-fluorophenyl)ethyl]-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-butyl-1-[2-chloro-2-(4-fluorophenyl)ethyl]-6-(methylthio)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-butyl-1-[2-chloro-2-(4-fluorophenyl)ethyl]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: butyl-[1-[2-chloro-2-(4-fluorophenyl)ethyl]-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H21ClFN5S MolecularWeight: 393.909243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1C=NN2CC(C3=CC=C(C=C3)F)Cl)SC

Isomeric SMILES

CCCCNC1=NC(=NC2=C1C=NN2CC(C3=CC=C(C=C3)F)Cl)SC

InChI

InChI=1S/C18H21ClFN5S/c1-3-4-9-21-16-14-10-22-25(17(14)24-18(23-16)26-2)11-15(19)12-5-7-13(20)8-6-12/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,21,23,24)