2-[[5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)-6-thiomorpholin-4-yl-pyrimidin-4-yl]amino]benzoic acid hydrochloride

Systemtic Name: 2-[[5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)-6-thiomorpholin-4-yl-pyrimidin-4-yl]amino]benzoic acid hydrochloride Openeye Name: 2-[[5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholino-pyrimidin-4-yl]amino]benzoic acid hydrochloride CAS Name: 2-[[5-nitro-2-(1-oxido-1-piperazin-1-iumyl)-6-thiomorpholin-4-yl-4-pyrimidinyl]amino]benzoic acid hydrochloride IUPAC Name: 2-[[5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholin-4-ylpyrimidin-4-yl]amino]benzoic acid hydrochloride Traditional Name: 2-[[5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholino-pyrimidin-4-yl]amino]benzoic acid hydrochloride Formula: C19H24ClN7O5S MolecularWeight: 497.95576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(C2=NC(=C(C(=N2)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-])N4CCSCC4)[O-].Cl

Isomeric SMILES

C1C[N+](CCN1)(C2=NC(=C(C(=N2)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-])N4CCSCC4)[O-].Cl

InChI

InChI=1S/C19H23N7O5S.ClH/c27-18(28)13-3-1-2-4-14(13)21-16-15(25(29)30)17(24-7-11-32-12-8-24)23-19(22-16)26(31)9-5-20-6-10-26;/h1-4,20H,5-12H2,(H,27,28)(H,21,22,23);1H