(2E)-N-(2-azidoethanoyl)-2-[[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-oxidanylidene-butanamide

Systemtic Name: (2E)-N-(2-azidoethanoyl)-2-[[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-oxidanylidene-butanamide Openeye Name: (2E)-N-(2-azidoacetyl)-2-[[(4,6-dimethylpyrimidin-2-yl)amino]methylene]-3-oxo-butanamide CAS Name: (2E)-N-(2-azido-1-oxoethyl)-2-[[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene]-3-oxobutanamide IUPAC Name: (2E)-N-(2-azidoacetyl)-2-[[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-oxobutanamide Traditional Name: (E)-2-acetyl-N-(2-azidoacetyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]acrylamide Formula: C13H15N7O3 MolecularWeight: 317.3033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC=C(C(=O)C)C(=O)NC(=O)CN=[N+]=[N-])C

Isomeric SMILES

CC1=CC(=NC(=N1)N/C=C(\C(=O)C)/C(=O)NC(=O)CN=[N+]=[N-])C

InChI

InChI=1S/C13H15N7O3/c1-7-4-8(2)18-13(17-7)15-5-10(9(3)21)12(23)19-11(22)6-16-20-14/h4-5H,6H2,1-3H3,(H,15,17,18)(H,19,22,23)/b10-5+