4,6-bis(oxidanylidene)-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)ethylidene]pyrimidin-2-olate

Systemtic Name: 4,6-bis(oxidanylidene)-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)ethylidene]pyrimidin-2-olate Openeye Name: 4,6-dioxo-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)ethylidene]pyrimidin-2-olate CAS Name: 4,6-dioxo-1-phenyl-5-[1-[3-(1-piperidin-1-iumyl)propylamino]ethylidene]-2-pyrimidinolate IUPAC Name: 4,6-dioxo-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)ethylidene]pyrimidin-2-olate Traditional Name: 4,6-diketo-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)ethylidene]pyrimidin-2-olate Formula: C20H26N4O3 MolecularWeight: 370.44544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)N=C(N(C1=O)C2=CC=CC=C2)[O-])NCCC[NH+]3CCCCC3

Isomeric SMILES

CC(=C1C(=O)N=C(N(C1=O)C2=CC=CC=C2)[O-])NCCC[NH+]3CCCCC3

InChI

InChI=1S/C20H26N4O3/c1-15(21-11-8-14-23-12-6-3-7-13-23)17-18(25)22-20(27)24(19(17)26)16-9-4-2-5-10-16/h2,4-5,9-10,21H,3,6-8,11-14H2,1H3,(H,22,25,27)