(2E)-2-[[(4-fluoranyl-3-methyl-phenyl)methylamino]-oxidanyl-methylidene]-3-methyl-3-oxidanidyl-4-piperazin-1-yl-4H-pyrimidin-3-ium-5-one

Systemtic Name: (2E)-2-[[(4-fluoranyl-3-methyl-phenyl)methylamino]-oxidanyl-methylidene]-3-methyl-3-oxidanidyl-4-piperazin-1-yl-4H-pyrimidin-3-ium-5-one Openeye Name: (2E)-2-[[(4-fluoro-3-methyl-phenyl)methylamino]-hydroxy-methylene]-3-methyl-3-oxido-4-piperazin-1-yl-4H-pyrimidin-3-ium-5-one CAS Name: (2E)-2-[[(4-fluoro-3-methylphenyl)methylamino]-hydroxymethylidene]-3-methyl-3-oxido-4-(1-piperazinyl)-4H-pyrimidin-3-ium-5-one IUPAC Name: (2E)-2-[[(4-fluoro-3-methylphenyl)methylamino]-hydroxymethylidene]-3-methyl-3-oxido-4-piperazin-1-yl-4H-pyrimidin-3-ium-5-one Traditional Name: (2E)-2-[[(4-fluoro-3-methyl-benzyl)amino]-hydroxy-methylene]-3-methyl-3-oxido-4-piperazino-4H-pyrimidin-3-ium-5-one Formula: C18H24FN5O3 MolecularWeight: 377.413263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=C2N=CC(=O)C([N+]2(C)[O-])N3CCNCC3)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)CN/C(=C\2/N=CC(=O)C([N+]2(C)[O-])N3CCNCC3)/O)F

InChI

InChI=1S/C18H24FN5O3/c1-12-9-13(3-4-14(12)19)10-22-17(26)16-21-11-15(25)18(24(16,2)27)23-7-5-20-6-8-23/h3-4,9,11,18,20,22,26H,5-8,10H2,1-2H3/b17-16+