N-(8-cyano-7-isocyano-4-oxidanylidene-1H-pyrrolo[1,2-a]pyrimidin-2-yl)tetradecanamide

Systemtic Name: N-(8-cyano-7-isocyano-4-oxidanylidene-1H-pyrrolo[1,2-a]pyrimidin-2-yl)tetradecanamide Openeye Name: N-(8-cyano-7-isocyano-4-oxo-1H-pyrrolo[1,2-a]pyrimidin-2-yl)tetradecanamide CAS Name: N-(8-cyano-7-isocyano-4-oxo-1H-pyrrolo[1,2-a]pyrimidin-2-yl)tetradecanamide IUPAC Name: N-(8-cyano-7-isocyano-4-oxo-1H-pyrrolo[1,2-a]pyrimidin-2-yl)tetradecanamide Traditional Name: N-(8-cyano-7-isocyano-4-keto-1H-pyrrolo[1,2-a]pyrimidin-2-yl)myristamide Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC1=CC(=O)N2C=C(C(=C2N1)C#N)[N+]#[C-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC1=CC(=O)N2C=C(C(=C2N1)C#N)[N+]#[C-]

InChI

InChI=1S/C23H31N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(29)26-20-15-22(30)28-17-19(25-2)18(16-24)23(28)27-20/h15,17,27H,3-14H2,1H3,(H,26,29)