2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-5-nitro-6-oxidanylidene-pyrimidin-1-yl]ethanolate

Systemtic Name: 2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-5-nitro-6-oxidanylidene-pyrimidin-1-yl]ethanolate Openeye Name: 2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-5-nitro-6-oxo-pyrimidin-1-yl]ethanolate CAS Name: 2-[4-[4-(4-fluorophenyl)-1-piperazinyl]-2-methyl-5-nitro-6-oxo-1-pyrimidinyl]ethanolate IUPAC Name: 2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-5-nitro-6-oxopyrimidin-1-yl]ethanolate Traditional Name: 2-[4-[4-(4-fluorophenyl)piperazino]-6-keto-2-methyl-5-nitro-pyrimidin-1-yl]ethanolate Formula: C17H19FN5O4- MolecularWeight: 376.362263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1CC[O-])[N+](=O)[O-])N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NC(=C(C(=O)N1CC[O-])[N+](=O)[O-])N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H19FN5O4/c1-12-19-16(15(23(26)27)17(25)22(12)10-11-24)21-8-6-20(7-9-21)14-4-2-13(18)3-5-14/h2-5H,6-11H2,1H3/q-1