[2-[1-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl]methanolate

Systemtic Name: [2-[1-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl]methanolate Openeye Name: [2-[1-(furan-2-carbonyl)piperazin-1-ium-1-yl]-5-nitro-6-thiomorpholino-pyrimidin-4-yl]methanolate CAS Name: [2-[1-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-5-nitro-6-thiomorpholin-4-yl-4-pyrimidinyl]methanolate IUPAC Name: [2-[1-(furan-2-carbonyl)piperazin-1-ium-1-yl]-5-nitro-6-thiomorpholin-4-ylpyrimidin-4-yl]methanolate Traditional Name: [2-[1-(2-furoyl)piperazin-1-ium-1-yl]-5-nitro-6-thiomorpholino-pyrimidin-4-yl]methanolate Formula: C18H22N6O5S MolecularWeight: 434.46948

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(C2=NC(=C(C(=N2)N3CCSCC3)[N+](=O)[O-])C[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1C[N+](CCN1)(C2=NC(=C(C(=N2)N3CCSCC3)[N+](=O)[O-])C[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C18H22N6O5S/c25-12-13-15(23(27)28)16(22-5-10-30-11-6-22)21-18(20-13)24(7-3-19-4-8-24)17(26)14-2-1-9-29-14/h1-2,9,19H,3-8,10-12H2