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

Systemtic Name: 5-methyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]hexanenitrile Openeye Name: 5-methyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]hexanenitrile CAS Name: 5-methyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]hexanenitrile IUPAC Name: 5-methyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]hexanenitrile Traditional Name: 5-methyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]hexanenitrile Formula: C16H18N6 MolecularWeight: 294.35432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6/c1-11(2)7-13(3-5-17)22-9-12(8-21-22)15-14-4-6-18-16(14)20-10-19-15/h4,6,8-11,13H,3,7H2,1-2H3,(H,18,19,20)