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

Systemtic Name: (2E)-N-(2-azidoethanoyl)-2-[[(4-methylpyrimidin-2-yl)amino]methylidene]-3-oxidanylidene-butanamide Openeye Name: (2E)-N-(2-azidoacetyl)-2-[[(4-methylpyrimidin-2-yl)amino]methylene]-3-oxo-butanamide CAS Name: (2E)-N-(2-azido-1-oxoethyl)-2-[[(4-methyl-2-pyrimidinyl)amino]methylidene]-3-oxobutanamide IUPAC Name: (2E)-N-(2-azidoacetyl)-2-[[(4-methylpyrimidin-2-yl)amino]methylidene]-3-oxobutanamide Traditional Name: (E)-2-acetyl-N-(2-azidoacetyl)-3-[(4-methylpyrimidin-2-yl)amino]acrylamide Formula: C12H13N7O3 MolecularWeight: 303.27672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC=C(C(=O)C)C(=O)NC(=O)CN=[N+]=[N-]

Isomeric SMILES

CC1=NC(=NC=C1)N/C=C(\C(=O)C)/C(=O)NC(=O)CN=[N+]=[N-]

InChI

InChI=1S/C12H13N7O3/c1-7-3-4-14-12(17-7)15-5-9(8(2)20)11(22)18-10(21)6-16-19-13/h3-5H,6H2,1-2H3,(H,14,15,17)(H,18,21,22)/b9-5+