5-(4-azanyl-2-chloranyl-phenyl)-2-(4-fluorophenyl)sulfanyl-pyrimido[1,6-b]pyridazin-6-one

Systemtic Name: 5-(4-azanyl-2-chloranyl-phenyl)-2-(4-fluorophenyl)sulfanyl-pyrimido[1,6-b]pyridazin-6-one Openeye Name: 5-(4-amino-2-chloro-phenyl)-2-(4-fluorophenyl)sulfanyl-pyrimido[1,6-b]pyridazin-6-one CAS Name: 5-(4-amino-2-chlorophenyl)-2-[(4-fluorophenyl)thio]-6-pyrimido[1,6-b]pyridazinone IUPAC Name: 5-(4-amino-2-chlorophenyl)-2-(4-fluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one Traditional Name: 5-(4-amino-2-chloro-phenyl)-2-[(4-fluorophenyl)thio]pyrimido[1,6-b]pyridazin-6-one Formula: C19H12ClFN4OS MolecularWeight: 398.841183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SC2=NN3C=NC(=O)C(=C3C=C2)C4=C(C=C(C=C4)N)Cl

Isomeric SMILES

C1=CC(=CC=C1F)SC2=NN3C=NC(=O)C(=C3C=C2)C4=C(C=C(C=C4)N)Cl

InChI

InChI=1S/C19H12ClFN4OS/c20-15-9-12(22)3-6-14(15)18-16-7-8-17(24-25(16)10-23-19(18)26)27-13-4-1-11(21)2-5-13/h1-10H,22H2