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

Systemtic Name: [5-nitro-2-(4-pyridin-4-ylcarbonylpiperazin-1-yl)-6-thiomorpholin-4-yl-pyrimidin-4-yl]methanolate Openeye Name: [5-nitro-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]-6-thiomorpholino-pyrimidin-4-yl]methanolate CAS Name: [5-nitro-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]-6-thiomorpholin-4-yl-4-pyrimidinyl]methanolate IUPAC Name: [5-nitro-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]-6-thiomorpholin-4-ylpyrimidin-4-yl]methanolate Traditional Name: [2-(4-isonicotinoylpiperazino)-5-nitro-6-thiomorpholino-pyrimidin-4-yl]methanolate Formula: C19H22N7O4S- MolecularWeight: 444.48748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=C(C(=N2)N3CCSCC3)[N+](=O)[O-])C[O-])C(=O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1C2=NC(=C(C(=N2)N3CCSCC3)[N+](=O)[O-])C[O-])C(=O)C4=CC=NC=C4

InChI

InChI=1S/C19H22N7O4S/c27-13-15-16(26(29)30)17(23-9-11-31-12-10-23)22-19(21-15)25-7-5-24(6-8-25)18(28)14-1-3-20-4-2-14/h1-4H,5-13H2/q-1