5-methylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]pentanenitrile

Systemtic Name: 5-methylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]pentanenitrile Openeye Name: 5-methylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]pentanenitrile CAS Name: 5-methylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]pentanenitrile IUPAC Name: 5-methylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]pentanenitrile Traditional Name: 5-mesyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]valeronitrile Formula: C15H16N6O2S MolecularWeight: 344.39154

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(CC#N)N1C=C(C=N1)C2=C3C=CNC3=NC=N2

Isomeric SMILES

CS(=O)(=O)CCC(CC#N)N1C=C(C=N1)C2=C3C=CNC3=NC=N2

InChI

InChI=1S/C15H16N6O2S/c1-24(22,23)7-4-12(2-5-16)21-9-11(8-20-21)14-13-3-6-17-15(13)19-10-18-14/h3,6,8-10,12H,2,4,7H2,1H3,(H,17,18,19)