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

Systemtic Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-5-nitro-1H-pyrimidin-4-one Openeye Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-5-nitro-1H-pyrimidin-4-one CAS Name: 6-[4-(4-fluorophenyl)-1-piperazinyl]-2-methyl-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-[4-(4-fluorophenyl)piperazino]-2-methyl-5-nitro-1H-pyrimidin-4-one Formula: C15H16FN5O3 MolecularWeight: 333.317643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)N2CCN(CC2)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C(=C(N1)N2CCN(CC2)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C15H16FN5O3/c1-10-17-14(13(21(23)24)15(22)18-10)20-8-6-19(7-9-20)12-4-2-11(16)3-5-12/h2-5H,6-9H2,1H3,(H,17,18,22)