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

Systemtic Name: 1-(2-bromanyl-2-phenyl-ethyl)-N-(2-ethoxyethyl)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(2-bromo-2-phenyl-ethyl)-N-(2-ethoxyethyl)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(2-bromo-2-phenylethyl)-N-(2-ethoxyethyl)-6-(methylthio)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(2-bromo-2-phenylethyl)-N-(2-ethoxyethyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(2-bromo-2-phenyl-ethyl)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]-(2-ethoxyethyl)amine Formula: C18H22BrN5OS MolecularWeight: 436.36918

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCNC1=NC(=NC2=C1C=NN2CC(C3=CC=CC=C3)Br)SC

Isomeric SMILES

CCOCCNC1=NC(=NC2=C1C=NN2CC(C3=CC=CC=C3)Br)SC

InChI

InChI=1S/C18H22BrN5OS/c1-3-25-10-9-20-16-14-11-21-24(17(14)23-18(22-16)26-2)12-15(19)13-7-5-4-6-8-13/h4-8,11,15H,3,9-10,12H2,1-2H3,(H,20,22,23)