2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanenitrile

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanenitrile Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanenitrile CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanenitrile IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanenitrile Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionitrile Formula: C14H11N5S MolecularWeight: 281.33564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC=NC2=C1C=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C#N)SC1=NC=NC2=C1C=NN2C3=CC=CC=C3

InChI

InChI=1S/C14H11N5S/c1-10(7-15)20-14-12-8-18-19(13(12)16-9-17-14)11-5-3-2-4-6-11/h2-6,8-10H,1H3