(2S)-1-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]piperidine-2-carboxamide

Systemtic Name: (2S)-1-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]piperidine-2-carboxamide Openeye Name: (2S)-1-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-2-carboxamide CAS Name: (2S)-1-[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]-2-piperidinecarboxamide IUPAC Name: (2S)-1-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-2-carboxamide Traditional Name: (2S)-1-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]pipecolinamide Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)N)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H20N6O2S/c20-17(27)15-8-4-5-9-24(15)16(26)11-28-19-14-10-23-25(18(14)21-12-22-19)13-6-2-1-3-7-13/h1-3,6-7,10,12,15H,4-5,8-9,11H2,(H2,20,27)/t15-/m0/s1