N-(1-cyanocyclopentyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C14H16N6OS MolecularWeight: 316.38144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C14H16N6OS/c1-20-12-10(6-18-20)13(17-9-16-12)22-7-11(21)19-14(8-15)4-2-3-5-14/h6,9H,2-5,7H2,1H3,(H,19,21)