(5-nitro-2-piperazin-1-yl-6-thiomorpholin-4-yl-pyrimidin-4-yl)oxymethanolate

Systemtic Name: (5-nitro-2-piperazin-1-yl-6-thiomorpholin-4-yl-pyrimidin-4-yl)oxymethanolate Openeye Name: (5-nitro-2-piperazin-1-yl-6-thiomorpholino-pyrimidin-4-yl)oxymethanolate CAS Name: [5-nitro-2-(1-piperazinyl)-6-thiomorpholin-4-yl-4-pyrimidinyl]oxymethanolate IUPAC Name: (5-nitro-2-piperazin-1-yl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxymethanolate Traditional Name: (5-nitro-2-piperazino-6-thiomorpholino-pyrimidin-4-yl)oxymethanolate Formula: C13H19N6O4S- MolecularWeight: 355.39276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC(=C(C(=N2)OC[O-])[N+](=O)[O-])N3CCSCC3

Isomeric SMILES

C1CN(CCN1)C2=NC(=C(C(=N2)OC[O-])[N+](=O)[O-])N3CCSCC3

InChI

InChI=1S/C13H19N6O4S/c20-9-23-12-10(19(21)22)11(17-5-7-24-8-6-17)15-13(16-12)18-3-1-14-2-4-18/h14H,1-9H2/q-1