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

Systemtic Name: 3-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-2-yl]butanenitrile Openeye Name: 3-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)thiazol-2-yl]butanenitrile CAS Name: 3-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-thiazolyl]butanenitrile IUPAC Name: 3-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-2-yl]butanenitrile Traditional Name: 3-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)thiazol-2-yl]butyronitrile Formula: C13H11N5S MolecularWeight: 269.32494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5S/c1-8(2-4-14)13-16-6-10(19-13)11-9-3-5-15-12(9)18-7-17-11/h3,5-8H,2H2,1H3,(H,15,17,18)