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

Systemtic Name: 4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutanenitrile Openeye Name: 4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutanenitrile CAS Name: 4-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]butanenitrile IUPAC Name: 4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutanenitrile Traditional Name: 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]butyronitrile Formula: C15H13N5S MolecularWeight: 295.36222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCCC#N

InChI

InChI=1S/C15H13N5S/c16-8-4-5-9-21-15-13-10-19-20(14(13)17-11-18-15)12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,9H2