5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)-6-thiomorpholin-4-yl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)-6-thiomorpholin-4-yl-pyrimidine-4-carboxylic acid Openeye Name: 5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholino-pyrimidine-4-carboxylic acid CAS Name: 5-nitro-2-(1-oxido-1-piperazin-1-iumyl)-6-thiomorpholin-4-yl-4-pyrimidinecarboxylic acid IUPAC Name: 5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholin-4-ylpyrimidine-4-carboxylic acid Traditional Name: 5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholino-pyrimidine-4-carboxylic acid Formula: C13H18N6O5S MolecularWeight: 370.38422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(C2=NC(=C(C(=N2)N3CCSCC3)[N+](=O)[O-])C(=O)O)[O-]

Isomeric SMILES

C1C[N+](CCN1)(C2=NC(=C(C(=N2)N3CCSCC3)[N+](=O)[O-])C(=O)O)[O-]

InChI

InChI=1S/C13H18N6O5S/c20-12(21)9-10(18(22)23)11(17-3-7-25-8-4-17)16-13(15-9)19(24)5-1-14-2-6-19/h14H,1-8H2,(H,20,21)