(E)-4-oxidanylidene-4-(pyrimidin-2-ylamino)but-2-enoate

Systemtic Name: (E)-4-oxidanylidene-4-(pyrimidin-2-ylamino)but-2-enoate Openeye Name: (E)-4-oxo-4-(pyrimidin-2-ylamino)but-2-enoate CAS Name: (E)-4-oxo-4-(2-pyrimidinylamino)-2-butenoate IUPAC Name: (E)-4-oxo-4-(pyrimidin-2-ylamino)but-2-enoate Traditional Name: (E)-4-keto-4-(2-pyrimidylamino)but-2-enoate Formula: C8H6N3O3- MolecularWeight: 192.15154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7N3O3/c12-6(2-3-7(13)14)11-8-9-4-1-5-10-8/h1-5H,(H,13,14)(H,9,10,11,12)/p-1/b3-2+