2-ethanimidoyl-3-oxidanylidene-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanenitrile

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]butyronitrile Formula: C17H14N6OS MolecularWeight: 350.39766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H14N6OS/c1-11(19)13(7-18)15(24)9-25-17-14-8-22-23(16(14)20-10-21-17)12-5-3-2-4-6-12/h2-6,8,10,13,19H,9H2,1H3