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

Systemtic Name: N-(4-chlorophenyl)-5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)-6-thiomorpholin-4-yl-pyrimidin-4-amine Openeye Name: N-(4-chlorophenyl)-5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholino-pyrimidin-4-amine CAS Name: N-(4-chlorophenyl)-5-nitro-2-(1-oxido-1-piperazin-1-iumyl)-6-thiomorpholin-4-yl-4-pyrimidinamine IUPAC Name: N-(4-chlorophenyl)-5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholin-4-ylpyrimidin-4-amine Traditional Name: (4-chlorophenyl)-[5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholino-pyrimidin-4-yl]amine Formula: C18H22ClN7O3S MolecularWeight: 451.93038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN7O3S/c19-13-1-3-14(4-2-13)21-16-15(25(27)28)17(24-7-11-30-12-8-24)23-18(22-16)26(29)9-5-20-6-10-26/h1-4,20H,5-12H2,(H,21,22,23)