1-(5-nitro-2-piperazin-1-yl-6-thiomorpholin-4-yl-pyrimidin-4-yl)oxyprop-2-ene-1,1-diol

Systemtic Name: 1-(5-nitro-2-piperazin-1-yl-6-thiomorpholin-4-yl-pyrimidin-4-yl)oxyprop-2-ene-1,1-diol Openeye Name: 1-(5-nitro-2-piperazin-1-yl-6-thiomorpholino-pyrimidin-4-yl)oxyprop-2-ene-1,1-diol CAS Name: 1-[[5-nitro-2-(1-piperazinyl)-6-thiomorpholin-4-yl-4-pyrimidinyl]oxy]-2-propene-1,1-diol IUPAC Name: 1-(5-nitro-2-piperazin-1-yl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyprop-2-ene-1,1-diol Traditional Name: 1-(5-nitro-2-piperazino-6-thiomorpholino-pyrimidin-4-yl)oxyprop-2-ene-1,1-diol Formula: C15H22N6O5S MolecularWeight: 398.43738

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(O)(O)OC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)N3CCNCC3

Isomeric SMILES

C=CC(O)(O)OC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)N3CCNCC3

InChI

InChI=1S/C15H22N6O5S/c1-2-15(22,23)26-13-11(21(24)25)12(19-7-9-27-10-8-19)17-14(18-13)20-5-3-16-4-6-20/h2,16,22-23H,1,3-10H2