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

Systemtic Name: 5-methylsulfanyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]pentanenitrile Openeye Name: 5-methylsulfanyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]pentanenitrile CAS Name: 5-(methylthio)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]pentanenitrile IUPAC Name: 5-methylsulfanyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]pentanenitrile Traditional Name: 5-(methylthio)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]valeronitrile Formula: C15H16N6S MolecularWeight: 312.39274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N6S/c1-22-7-4-12(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)