N-(1-cyanocyclohexyl)-N-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-N-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3)C4(CCCCC4)C#N

InChI

InChI=1S/C21H22N6OS/c1-26(21(14-22)10-6-3-7-11-21)18(28)13-29-20-17-12-25-27(19(17)23-15-24-20)16-8-4-2-5-9-16/h2,4-5,8-9,12,15H,3,6-7,10-11,13H2,1H3