5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-pyrimido[1,6-b]pyridazin-6-one

Systemtic Name: 5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-pyrimido[1,6-b]pyridazin-6-one Openeye Name: 5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-pyrimido[1,6-b]pyridazin-6-one CAS Name: 5-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)thio]-6-pyrimido[1,6-b]pyridazinone IUPAC Name: 5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one Traditional Name: 5-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)thio]pyrimido[1,6-b]pyridazin-6-one Formula: C21H16FN3O3S MolecularWeight: 409.433443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=CC(=NN3C=NC2=O)SC4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=CC(=NN3C=NC2=O)SC4=CC=C(C=C4)F)OC

InChI

InChI=1S/C21H16FN3O3S/c1-27-17-9-3-13(11-18(17)28-2)20-16-8-10-19(24-25(16)12-23-21(20)26)29-15-6-4-14(22)5-7-15/h3-12H,1-2H3