2-[[6-azanyl-5-[(2-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[6-azanyl-5-[(2-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[6-amino-5-[(2-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-amino-5-[[(2-fluorophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[6-amino-5-[(2-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-amino-5-[(2-fluorobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]acetate Formula: C13H10FN4O4S- MolecularWeight: 337.306303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)[O-])N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)[O-])N)F

InChI

InChI=1S/C13H11FN4O4S/c14-7-4-2-1-3-6(7)11(21)16-9-10(15)17-13(18-12(9)22)23-5-8(19)20/h1-4H,5H2,(H,16,21)(H,19,20)(H3,15,17,18,22)/p-1