3-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(7-bromo-2-oxo-chromen-4-yl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(7-bromo-2-oxo-1-benzopyran-4-yl)methyl]-5-(4-fluorophenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(7-bromo-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(7-bromo-2-keto-chromen-4-yl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H12BrFN2O3S MolecularWeight: 483.309683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC3=C2C(=O)N(C=N3)CC4=CC(=O)OC5=C4C=CC(=C5)Br)F

Isomeric SMILES

C1=CC(=CC=C1C2=CSC3=C2C(=O)N(C=N3)CC4=CC(=O)OC5=C4C=CC(=C5)Br)F

InChI

InChI=1S/C22H12BrFN2O3S/c23-14-3-6-16-13(7-19(27)29-18(16)8-14)9-26-11-25-21-20(22(26)28)17(10-30-21)12-1-4-15(24)5-2-12/h1-8,10-11H,9H2