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

Systemtic Name: furan-2-yl-[1-[4-(hydroxymethyl)-5-nitro-6-thiomorpholin-4-yl-pyrimidin-2-yl]piperazin-1-ium-1-yl]methanone Openeye Name: 2-furyl-[1-[4-(hydroxymethyl)-5-nitro-6-thiomorpholino-pyrimidin-2-yl]piperazin-1-ium-1-yl]methanone CAS Name: 2-furanyl-[1-[4-(hydroxymethyl)-5-nitro-6-thiomorpholin-4-yl-2-pyrimidinyl]-1-piperazin-1-iumyl]methanone IUPAC Name: furan-2-yl-[1-[4-(hydroxymethyl)-5-nitro-6-thiomorpholin-4-ylpyrimidin-2-yl]piperazin-1-ium-1-yl]methanone Traditional Name: 2-furyl-[1-(4-methylol-5-nitro-6-thiomorpholino-pyrimidin-2-yl)piperazin-1-ium-1-yl]methanone Formula: C18H23N6O5S+ MolecularWeight: 435.47742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N6O5S/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/h1-2,9,19,25H,3-8,10-12H2/q+1