2-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-(3-fluoroanilino)-2-oxo-ethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[[2-(3-fluoroanilino)-2-oxoethyl]thio]-6-oxo-5-(phenylmethyl)-1H-pyrimidin-4-olate IUPAC Name: 5-benzyl-2-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-(3-fluoroanilino)-2-keto-ethyl]thio]-6-keto-1H-pyrimidin-4-olate Formula: C19H15FN3O3S- MolecularWeight: 384.404103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=CC(=CC=C3)F)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=CC(=CC=C3)F)[O-]

InChI

InChI=1S/C19H16FN3O3S/c20-13-7-4-8-14(10-13)21-16(24)11-27-19-22-17(25)15(18(26)23-19)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,21,24)(H2,22,23,25,26)/p-1