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

Systemtic Name: [2-(4-methanoylpiperazin-1-yl)-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl]methanolate Openeye Name: [2-(4-formylpiperazin-1-yl)-5-nitro-6-thiomorpholino-pyrimidin-4-yl]methanolate CAS Name: [2-(4-formyl-1-piperazinyl)-5-nitro-6-thiomorpholin-4-yl-4-pyrimidinyl]methanolate IUPAC Name: [2-(4-formylpiperazin-1-yl)-5-nitro-6-thiomorpholin-4-ylpyrimidin-4-yl]methanolate Traditional Name: [2-(4-formylpiperazino)-5-nitro-6-thiomorpholino-pyrimidin-4-yl]methanolate Formula: C14H19N6O4S- MolecularWeight: 367.40346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N6O4S/c21-9-11-12(20(23)24)13(18-5-7-25-8-6-18)16-14(15-11)19-3-1-17(10-22)2-4-19/h10H,1-9H2/q-1