1-(2-chlorophenyl)-5-[[3-(diethylazaniumyl)propylamino]methylidene]-4,6-bis(oxidanylidene)pyrimidin-2-olate

Systemtic Name: 1-(2-chlorophenyl)-5-[[3-(diethylazaniumyl)propylamino]methylidene]-4,6-bis(oxidanylidene)pyrimidin-2-olate Openeye Name: 1-(2-chlorophenyl)-5-[[3-(diethylammonio)propylamino]methylene]-4,6-dioxo-pyrimidin-2-olate CAS Name: 1-(2-chlorophenyl)-5-[[3-(diethylammonio)propylamino]methylidene]-4,6-dioxo-2-pyrimidinolate IUPAC Name: 1-(2-chlorophenyl)-5-[[3-(diethylazaniumyl)propylamino]methylidene]-4,6-dioxopyrimidin-2-olate Traditional Name: 1-(2-chlorophenyl)-5-[[3-(diethylammonio)propylamino]methylene]-4,6-diketo-pyrimidin-2-olate Formula: C18H23ClN4O3 MolecularWeight: 378.85322

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC=C1C(=O)N=C(N(C1=O)C2=CC=CC=C2Cl)[O-]

Isomeric SMILES

CC[NH+](CC)CCCNC=C1C(=O)N=C(N(C1=O)C2=CC=CC=C2Cl)[O-]

InChI

InChI=1S/C18H23ClN4O3/c1-3-22(4-2)11-7-10-20-12-13-16(24)21-18(26)23(17(13)25)15-9-6-5-8-14(15)19/h5-6,8-9,12,20H,3-4,7,10-11H2,1-2H3,(H,21,24,26)