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

Systemtic Name: 1-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: 1-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]isonipecotate Formula: C19H18N5O3S- MolecularWeight: 396.44292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H19N5O3S/c25-16(23-8-6-13(7-9-23)19(26)27)11-28-18-15-10-22-24(17(15)20-12-21-18)14-4-2-1-3-5-14/h1-5,10,12-13H,6-9,11H2,(H,26,27)/p-1