N-[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-[(5-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2,4-diketo-1H-pyrimidin-6-yl)-2-[(5-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C13H9N5O5S2 MolecularWeight: 379.37106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)SCC(=O)NC3=CC(=O)NC(=O)N3

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)SCC(=O)NC3=CC(=O)NC(=O)N3

InChI

InChI=1S/C13H9N5O5S2/c19-10-4-9(16-12(21)17-10)15-11(20)5-24-13-14-7-3-6(18(22)23)1-2-8(7)25-13/h1-4H,5H2,(H3,15,16,17,19,20,21)