3-ethyl-1-(4-fluorophenyl)-4-oxidanyl-7-phenyl-1H-pyrimido[1,2-b]pyridazine-1,5-diium-2-one

Systemtic Name: 3-ethyl-1-(4-fluorophenyl)-4-oxidanyl-7-phenyl-1H-pyrimido[1,2-b]pyridazine-1,5-diium-2-one Openeye Name: 3-ethyl-1-(4-fluorophenyl)-4-hydroxy-7-phenyl-1H-pyrimido[1,2-b]pyridazine-1,5-diium-2-one CAS Name: 3-ethyl-1-(4-fluorophenyl)-4-hydroxy-7-phenyl-1H-pyrimido[1,2-b]pyridazine-1,5-diium-2-one IUPAC Name: 3-ethyl-1-(4-fluorophenyl)-4-hydroxy-7-phenyl-1H-pyrimido[1,2-b]pyridazine-1,5-diium-2-one Traditional Name: 3-ethyl-1-(4-fluorophenyl)-4-hydroxy-7-phenyl-1H-pyrimido[1,2-b]pyridazine-1,5-diium-2-one Formula: C21H18FN3O2+2 MolecularWeight: 363.384923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+]2=C(C=CC(=N2)C3=CC=CC=C3)[NH+](C1=O)C4=CC=C(C=C4)F)O

Isomeric SMILES

CCC1=C([N+]2=C(C=CC(=N2)C3=CC=CC=C3)[NH+](C1=O)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C21H16FN3O2/c1-2-17-20(26)24(16-10-8-15(22)9-11-16)19-13-12-18(23-25(19)21(17)27)14-6-4-3-5-7-14/h3-13H,2H2,1H3/p+2