N-(4-sulfanylidenepyrrolo[2,3-d]pyrimidin-2-yl)octanamide

Systemtic Name: N-(4-sulfanylidenepyrrolo[2,3-d]pyrimidin-2-yl)octanamide Openeye Name: N-(4-thioxopyrrolo[2,3-d]pyrimidin-2-yl)octanamide CAS Name: N-(4-sulfanylidene-2-pyrrolo[2,3-d]pyrimidinyl)octanamide IUPAC Name: N-(4-sulfanylidenepyrrolo[2,3-d]pyrimidin-2-yl)octanamide Traditional Name: N-(4-thioxopyrrolo[2,3-d]pyrimidin-2-yl)caprylamide Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=NC(=S)C2=CC=NC2=N1

Isomeric SMILES

CCCCCCCC(=O)NC1=NC(=S)C2=CC=NC2=N1

InChI

InChI=1S/C14H18N4OS/c1-2-3-4-5-6-7-11(19)16-14-17-12-10(8-9-15-12)13(20)18-14/h8-9H,2-7H2,1H3,(H,16,18,19,20)