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

Systemtic Name: 5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)-N-pyridin-4-yl-6-thiomorpholin-4-yl-pyrimidin-4-amine Openeye Name: 5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-N-(4-pyridyl)-6-thiomorpholino-pyrimidin-4-amine CAS Name: 5-nitro-2-(1-oxido-1-piperazin-1-iumyl)-N-pyridin-4-yl-6-thiomorpholin-4-yl-4-pyrimidinamine IUPAC Name: 5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-N-pyridin-4-yl-6-thiomorpholin-4-ylpyrimidin-4-amine Traditional Name: [5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholino-pyrimidin-4-yl]-(4-pyridyl)amine Formula: C17H22N8O3S MolecularWeight: 418.47338

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(C2=NC(=C(C(=N2)NC3=CC=NC=C3)[N+](=O)[O-])N4CCSCC4)[O-]

Isomeric SMILES

C1C[N+](CCN1)(C2=NC(=C(C(=N2)NC3=CC=NC=C3)[N+](=O)[O-])N4CCSCC4)[O-]

InChI

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