N-methyl-5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)-6-thiomorpholin-4-yl-pyrimidin-4-amine hydrochloride

Systemtic Name: N-methyl-5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)-6-thiomorpholin-4-yl-pyrimidin-4-amine hydrochloride Openeye Name: N-methyl-5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholino-pyrimidin-4-amine hydrochloride CAS Name: N-methyl-5-nitro-2-(1-oxido-1-piperazin-1-iumyl)-6-thiomorpholin-4-yl-4-pyrimidinamine hydrochloride IUPAC Name: N-methyl-5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholin-4-ylpyrimidin-4-amine hydrochloride Traditional Name: methyl-[5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholino-pyrimidin-4-yl]amine hydrochloride Formula: C13H22ClN7O3S MolecularWeight: 391.87688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)[N+]3(CCNCC3)[O-].Cl

Isomeric SMILES

CNC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)[N+]3(CCNCC3)[O-].Cl

InChI

InChI=1S/C13H21N7O3S.ClH/c1-14-11-10(19(21)22)12(18-4-8-24-9-5-18)17-13(16-11)20(23)6-2-15-3-7-20;/h15H,2-9H2,1H3,(H,14,16,17);1H