5-[(2,1,3-benzoxadiazol-4-ylamino)methylidene]-4,6-bis(oxidanylidene)-1-propan-2-yl-pyrimidin-2-olate

Systemtic Name: 5-[(2,1,3-benzoxadiazol-4-ylamino)methylidene]-4,6-bis(oxidanylidene)-1-propan-2-yl-pyrimidin-2-olate Openeye Name: 5-[(2,1,3-benzoxadiazol-4-ylamino)methylene]-1-isopropyl-4,6-dioxo-pyrimidin-2-olate CAS Name: 5-[(2,1,3-benzoxadiazol-4-ylamino)methylidene]-4,6-dioxo-1-propan-2-yl-2-pyrimidinolate IUPAC Name: 5-[(2,1,3-benzoxadiazol-4-ylamino)methylidene]-4,6-dioxo-1-propan-2-ylpyrimidin-2-olate Traditional Name: 5-[(benzofurazan-4-ylamino)methylene]-1-isopropyl-4,6-diketo-pyrimidin-2-olate Formula: C14H12N5O4- MolecularWeight: 314.27618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=CNC2=CC=CC3=NON=C32)C(=O)N=C1[O-]

Isomeric SMILES

CC(C)N1C(=O)C(=CNC2=CC=CC3=NON=C32)C(=O)N=C1[O-]

InChI

InChI=1S/C14H13N5O4/c1-7(2)19-13(21)8(12(20)16-14(19)22)6-15-9-4-3-5-10-11(9)18-23-17-10/h3-7,15H,1-2H3,(H,16,20,22)/p-1