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

Systemtic Name: N-butyl-1-(2-chloranyl-2-phenyl-ethyl)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-butyl-1-(2-chloro-2-phenyl-ethyl)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-butyl-1-(2-chloro-2-phenylethyl)-6-(methylthio)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-butyl-1-(2-chloro-2-phenylethyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: butyl-[1-(2-chloro-2-phenyl-ethyl)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H22ClN5S MolecularWeight: 375.91878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5S/c1-3-4-10-20-16-14-11-21-24(17(14)23-18(22-16)25-2)12-15(19)13-8-6-5-7-9-13/h5-9,11,15H,3-4,10,12H2,1-2H3,(H,20,22,23)