4-[6-methylsulfanyl-4-[(phenylmethyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol

Systemtic Name: 4-[6-methylsulfanyl-4-[(phenylmethyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol Openeye Name: 4-[4-(benzylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol CAS Name: 4-[6-(methylthio)-4-[(phenylmethyl)amino]-1-pyrazolo[3,4-d]pyrimidinyl]-1-butanol IUPAC Name: 4-[4-(benzylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol Traditional Name: 4-[4-(benzylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCCCO)C(=N1)NCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC2=C(C=NN2CCCCO)C(=N1)NCC3=CC=CC=C3

InChI

InChI=1S/C17H21N5OS/c1-24-17-20-15(18-11-13-7-3-2-4-8-13)14-12-19-22(16(14)21-17)9-5-6-10-23/h2-4,7-8,12,23H,5-6,9-11H2,1H3,(H,18,20,21)