(5E)-1-(4-chlorophenyl)-5-[1-[2-(dimethylazaniumyl)ethylamino]propylidene]-4,6-bis(oxidanylidene)pyrimidin-2-olate

Systemtic Name: (5E)-1-(4-chlorophenyl)-5-[1-[2-(dimethylazaniumyl)ethylamino]propylidene]-4,6-bis(oxidanylidene)pyrimidin-2-olate Openeye Name: (5E)-1-(4-chlorophenyl)-5-[1-[2-(dimethylammonio)ethylamino]propylidene]-4,6-dioxo-pyrimidin-2-olate CAS Name: (5E)-1-(4-chlorophenyl)-5-[1-[2-(dimethylammonio)ethylamino]propylidene]-4,6-dioxo-2-pyrimidinolate IUPAC Name: (5E)-1-(4-chlorophenyl)-5-[1-[2-(dimethylazaniumyl)ethylamino]propylidene]-4,6-dioxopyrimidin-2-olate Traditional Name: (5E)-1-(4-chlorophenyl)-5-[1-[2-(dimethylammonio)ethylamino]propylidene]-4,6-diketo-pyrimidin-2-olate Formula: C17H21ClN4O3 MolecularWeight: 364.82664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)N=C(N(C1=O)C2=CC=C(C=C2)Cl)[O-])NCC[NH+](C)C

Isomeric SMILES

CC/C(=C\1/C(=O)N=C(N(C1=O)C2=CC=C(C=C2)Cl)[O-])/NCC[NH+](C)C

InChI

InChI=1S/C17H21ClN4O3/c1-4-13(19-9-10-21(2)3)14-15(23)20-17(25)22(16(14)24)12-7-5-11(18)6-8-12/h5-8,19H,4,9-10H2,1-3H3,(H,20,23,25)/b14-13+