(2E)-N-(2-azidoethanoyl)-3-oxidanylidene-2-[(pyrimidin-2-ylamino)methylidene]butanamide

Systemtic Name: (2E)-N-(2-azidoethanoyl)-3-oxidanylidene-2-[(pyrimidin-2-ylamino)methylidene]butanamide Openeye Name: (2E)-N-(2-azidoacetyl)-3-oxo-2-[(pyrimidin-2-ylamino)methylene]butanamide CAS Name: (2E)-N-(2-azido-1-oxoethyl)-3-oxo-2-[(2-pyrimidinylamino)methylidene]butanamide IUPAC Name: (2E)-N-(2-azidoacetyl)-3-oxo-2-[(pyrimidin-2-ylamino)methylidene]butanamide Traditional Name: (E)-2-acetyl-N-(2-azidoacetyl)-3-(2-pyrimidylamino)acrylamide Formula: C11H11N7O3 MolecularWeight: 289.25014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CNC1=NC=CC=N1)C(=O)NC(=O)CN=[N+]=[N-]

Isomeric SMILES

CC(=O)/C(=C\NC1=NC=CC=N1)/C(=O)NC(=O)CN=[N+]=[N-]

InChI

InChI=1S/C11H11N7O3/c1-7(19)8(5-15-11-13-3-2-4-14-11)10(21)17-9(20)6-16-18-12/h2-5H,6H2,1H3,(H,13,14,15)(H,17,20,21)/b8-5+