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

Systemtic Name: 5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)-N-phenyl-6-thiomorpholin-4-yl-pyrimidin-4-amine Openeye Name: 5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-N-phenyl-6-thiomorpholino-pyrimidin-4-amine CAS Name: 5-nitro-2-(1-oxido-1-piperazin-1-iumyl)-N-phenyl-6-thiomorpholin-4-yl-4-pyrimidinamine IUPAC Name: 5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-N-phenyl-6-thiomorpholin-4-ylpyrimidin-4-amine Traditional Name: [5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholino-pyrimidin-4-yl]-phenyl-amine Formula: C18H23N7O3S MolecularWeight: 417.48532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N7O3S/c26-24(27)15-16(20-14-4-2-1-3-5-14)21-18(25(28)10-6-19-7-11-25)22-17(15)23-8-12-29-13-9-23/h1-5,19H,6-13H2,(H,20,21,22)