4-[4-[4-(1-hydroxyethyloxy)-5-nitro-6-thiomorpholin-4-yl-pyrimidin-2-yl]piperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[4-(1-hydroxyethyloxy)-5-nitro-6-thiomorpholin-4-yl-pyrimidin-2-yl]piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[4-(1-hydroxyethoxy)-5-nitro-6-thiomorpholino-pyrimidin-2-yl]piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[4-(1-hydroxyethoxy)-5-nitro-6-thiomorpholin-4-yl-2-pyrimidinyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[4-(1-hydroxyethoxy)-5-nitro-6-thiomorpholin-4-ylpyrimidin-2-yl]piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-[4-(1-hydroxyethoxy)-5-nitro-6-thiomorpholino-pyrimidin-2-yl]piperazino]-4-keto-butyric acid Formula: C18H26N6O7S MolecularWeight: 470.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)OC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)N3CCN(CC3)C(=O)CCC(=O)O

Isomeric SMILES

CC(O)OC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)N3CCN(CC3)C(=O)CCC(=O)O

InChI

InChI=1S/C18H26N6O7S/c1-12(25)31-17-15(24(29)30)16(22-8-10-32-11-9-22)19-18(20-17)23-6-4-21(5-7-23)13(26)2-3-14(27)28/h12,25H,2-11H2,1H3,(H,27,28)