(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]pentanedinitrile

Systemtic Name: (2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]pentanedinitrile Openeye Name: (2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]pentanedinitrile CAS Name: (2S)-2-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]pentanedinitrile IUPAC Name: (2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]pentanedinitrile Traditional Name: (2S)-2-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]glutaronitrile Formula: C17H14N6S MolecularWeight: 334.39826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SC[C@@H](CCC#N)C#N

InChI

InChI=1S/C17H14N6S/c18-8-4-5-13(9-19)11-24-17-15-10-22-23(16(15)20-12-21-17)14-6-2-1-3-7-14/h1-3,6-7,10,12-13H,4-5,11H2/t13-/m0/s1