6-[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(3-acetamidoanilino)-2-oxo-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(3-acetamidoanilino)-2-oxoethyl]-2-[(2-fluorophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(3-acetamidoanilino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(3-acetamidoanilino)-2-keto-ethyl]-2-[(2-fluorobenzyl)thio]pyrimidin-4-olate Formula: C21H18FN4O3S- MolecularWeight: 425.456023

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

InChI

InChI=1S/C21H19FN4O3S/c1-13(27)23-15-6-4-7-16(9-15)24-19(28)10-17-11-20(29)26-21(25-17)30-12-14-5-2-3-8-18(14)22/h2-9,11H,10,12H2,1H3,(H,23,27)(H,24,28)(H,25,26,29)/p-1