2-chloranyl-5-nitro-6-(1-oxidanylidene-1,4-thiazinan-4-yl)pyrimidine-4-carboxylic acid

Systemtic Name: 2-chloranyl-5-nitro-6-(1-oxidanylidene-1,4-thiazinan-4-yl)pyrimidine-4-carboxylic acid Openeye Name: 2-chloro-5-nitro-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidine-4-carboxylic acid CAS Name: 2-chloro-5-nitro-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyrimidinecarboxylic acid IUPAC Name: 2-chloro-5-nitro-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidine-4-carboxylic acid Traditional Name: 2-chloro-6-(1-keto-1,4-thiazinan-4-yl)-5-nitro-pyrimidine-4-carboxylic acid Formula: C9H9ClN4O5S MolecularWeight: 320.70956

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)CCN1C2=NC(=NC(=C2[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

C1CS(=O)CCN1C2=NC(=NC(=C2[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C9H9ClN4O5S/c10-9-11-5(8(15)16)6(14(17)18)7(12-9)13-1-3-20(19)4-2-13/h1-4H2,(H,15,16)