5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-4,6-bis(oxidanylidene)-1-phenethyl-pyrimidin-2-olate

Systemtic Name: 5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-4,6-bis(oxidanylidene)-1-phenethyl-pyrimidin-2-olate Openeye Name: 5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-4,6-dioxo-1-phenethyl-pyrimidin-2-olate CAS Name: 5-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-4,6-dioxo-1-phenethyl-2-pyrimidinolate IUPAC Name: 5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-4,6-dioxo-1-phenethylpyrimidin-2-olate Traditional Name: 4,6-diketo-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-1-phenethyl-pyrimidin-2-olate Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC=C2C(=O)N=C(N(C2=O)CCC3=CC=CC=C3)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)NC=C2C(=O)N=C(N(C2=O)CCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H23N5O3/c1-21-9-11-22(12-10-21)19-13-15-16(24)20-18(26)23(17(15)25)8-7-14-5-3-2-4-6-14/h2-6,13,19H,7-12H2,1H3,(H,20,24,26)