4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-2-yl]heptanenitrile

Systemtic Name: 4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-2-yl]heptanenitrile Openeye Name: 4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)thiazol-2-yl]heptanenitrile CAS Name: 4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-thiazolyl]heptanenitrile IUPAC Name: 4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-2-yl]heptanenitrile Traditional Name: 4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)thiazol-2-yl]enanthonitrile Formula: C16H17N5S MolecularWeight: 311.40468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC#N)C1=NC=C(S1)C2=C3C=CNC3=NC=N2

Isomeric SMILES

CCCC(CCC#N)C1=NC=C(S1)C2=C3C=CNC3=NC=N2

InChI

InChI=1S/C16H17N5S/c1-2-4-11(5-3-7-17)16-19-9-13(22-16)14-12-6-8-18-15(12)21-10-20-14/h6,8-11H,2-5H2,1H3,(H,18,20,21)