[2-(4-methanoylpiperazin-1-yl)-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl]sulfanylmethanolate

Systemtic Name: [2-(4-methanoylpiperazin-1-yl)-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl]sulfanylmethanolate Openeye Name: [2-(4-formylpiperazin-1-yl)-5-nitro-6-thiomorpholino-pyrimidin-4-yl]sulfanylmethanolate CAS Name: [[2-(4-formyl-1-piperazinyl)-5-nitro-6-thiomorpholin-4-yl-4-pyrimidinyl]thio]methanolate IUPAC Name: [2-(4-formylpiperazin-1-yl)-5-nitro-6-thiomorpholin-4-ylpyrimidin-4-yl]sulfanylmethanolate Traditional Name: [[2-(4-formylpiperazino)-5-nitro-6-thiomorpholino-pyrimidin-4-yl]thio]methanolate Formula: C14H19N6O4S2- MolecularWeight: 399.46846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=NC(=C(C(=N2)SC[O-])[N+](=O)[O-])N3CCSCC3

Isomeric SMILES

C1CN(CCN1C=O)C2=NC(=C(C(=N2)SC[O-])[N+](=O)[O-])N3CCSCC3

InChI

InChI=1S/C14H19N6O4S2/c21-9-17-1-3-19(4-2-17)14-15-12(18-5-7-25-8-6-18)11(20(23)24)13(16-14)26-10-22/h9H,1-8,10H2/q-1