5-[2,6-bis(chloranyl)-4-[1-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethylamino]phenyl]-2-[2,4-bis(fluoranyl)phenyl]sulfanyl-pyrimido[1,6-b]pyridazin-6-one

Systemtic Name: 5-[2,6-bis(chloranyl)-4-[1-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethylamino]phenyl]-2-[2,4-bis(fluoranyl)phenyl]sulfanyl-pyrimido[1,6-b]pyridazin-6-one Openeye Name: 5-[2,6-dichloro-4-[1-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethylamino]phenyl]-2-(2,4-difluorophenyl)sulfanyl-pyrimido[1,6-b]pyridazin-6-one CAS Name: 5-[2,6-dichloro-4-[1-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethylamino]phenyl]-2-[(2,4-difluorophenyl)thio]-6-pyrimido[1,6-b]pyridazinone IUPAC Name: 5-[2,6-dichloro-4-[1-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethylamino]phenyl]-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one Traditional Name: 5-[2,6-dichloro-4-[1-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethylamino]phenyl]-2-[(2,4-difluorophenyl)thio]pyrimido[1,6-b]pyridazin-6-one Formula: C27H22Cl2F2N6OS MolecularWeight: 587.470986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)C(C)NC2=CC(=C(C(=C2)Cl)C3=C4C=CC(=NN4C=NC3=O)SC5=C(C=C(C=C5)F)F)Cl

Isomeric SMILES

CCC1=NC(=C(N1)C)C(C)NC2=CC(=C(C(=C2)Cl)C3=C4C=CC(=NN4C=NC3=O)SC5=C(C=C(C=C5)F)F)Cl

InChI

InChI=1S/C27H22Cl2F2N6OS/c1-4-22-34-14(3)26(35-22)13(2)33-16-10-17(28)24(18(29)11-16)25-20-6-8-23(36-37(20)12-32-27(25)38)39-21-7-5-15(30)9-19(21)31/h5-13,33H,4H2,1-3H3,(H,34,35)