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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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