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

Systemtic Name: 3-ethyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]pentanenitrile Openeye Name: 3-ethyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]pentanenitrile CAS Name: 3-ethyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]pentanenitrile IUPAC Name: 3-ethyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]pentanenitrile Traditional Name: 3-ethyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]valeronitrile Formula: C16H18N6 MolecularWeight: 294.35432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6/c1-3-16(4-2,6-7-17)22-10-12(9-21-22)14-13-5-8-18-15(13)20-11-19-14/h5,8-11H,3-4,6H2,1-2H3,(H,18,19,20)