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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5S/c1-10(2)7-11(3-5-17)16-19-8-13(22-16)14-12-4-6-18-15(12)21-9-20-14/h4,6,8-11H,3,7H2,1-2H3,(H,18,20,21)