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

Systemtic Name: 5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)-N-pyridin-2-yl-6-thiomorpholin-4-yl-pyrimidin-4-amine dihydrochloride Openeye Name: 5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-N-(2-pyridyl)-6-thiomorpholino-pyrimidin-4-amine dihydrochloride CAS Name: 5-nitro-2-(1-oxido-1-piperazin-1-iumyl)-N-(2-pyridinyl)-6-thiomorpholin-4-yl-4-pyrimidinamine dihydrochloride IUPAC Name: 5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-N-pyridin-2-yl-6-thiomorpholin-4-ylpyrimidin-4-amine dihydrochloride Traditional Name: [5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholino-pyrimidin-4-yl]-(2-pyridyl)amine dihydrochloride Formula: C17H24Cl2N8O3S MolecularWeight: 491.39526

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(C2=NC(=C(C(=N2)NC3=CC=CC=N3)[N+](=O)[O-])N4CCSCC4)[O-].Cl.Cl

Isomeric SMILES

C1C[N+](CCN1)(C2=NC(=C(C(=N2)NC3=CC=CC=N3)[N+](=O)[O-])N4CCSCC4)[O-].Cl.Cl

InChI

InChI=1S/C17H22N8O3S.2ClH/c26-24(27)14-15(20-13-3-1-2-4-19-13)21-17(25(28)9-5-18-6-10-25)22-16(14)23-7-11-29-12-8-23;;/h1-4,18H,5-12H2,(H,19,20,21,22);2*1H