4-[4-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol

Systemtic Name: 4-[4-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol Openeye Name: 4-(4-benzylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol CAS Name: 4-[4-(phenylmethylthio)-1-pyrazolo[3,4-d]pyrimidinyl]-1-butanol IUPAC Name: 4-(4-benzylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol Traditional Name: 4-[4-(benzylthio)pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3CCCCO

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3CCCCO

InChI

InChI=1S/C16H18N4OS/c21-9-5-4-8-20-15-14(10-19-20)16(18-12-17-15)22-11-13-6-2-1-3-7-13/h1-3,6-7,10,12,21H,4-5,8-9,11H2