2-[[6-methylsulfanyl-4-[(phenylmethyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethanol

Systemtic Name: 2-[[6-methylsulfanyl-4-[(phenylmethyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethanol Openeye Name: 2-[[4-(benzylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethanol CAS Name: 2-[[6-(methylthio)-4-[(phenylmethyl)amino]-1-pyrazolo[3,4-d]pyrimidinyl]methoxy]ethanol IUPAC Name: 2-[[4-(benzylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethanol Traditional Name: 2-[[4-(benzylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethanol Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2COCCO)C(=N1)NCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC2=C(C=NN2COCCO)C(=N1)NCC3=CC=CC=C3

InChI

InChI=1S/C16H19N5O2S/c1-24-16-19-14(17-9-12-5-3-2-4-6-12)13-10-18-21(15(13)20-16)11-23-8-7-22/h2-6,10,22H,7-9,11H2,1H3,(H,17,19,20)