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

Systemtic Name: (2R)-2-[[6-azanyl-5-[(2-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]butanoate Openeye Name: (2R)-2-[[6-amino-5-[(2-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate CAS Name: (2R)-2-[[6-amino-5-[[(2-fluorophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]butanoate IUPAC Name: (2R)-2-[[6-amino-5-[(2-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate Traditional Name: (2R)-2-[[6-amino-5-[(2-fluorobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]butyrate Formula: C15H14FN4O4S- MolecularWeight: 365.359463

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CC[C@H](C(=O)[O-])SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C15H15FN4O4S/c1-2-9(14(23)24)25-15-19-11(17)10(13(22)20-15)18-12(21)7-5-3-4-6-8(7)16/h3-6,9H,2H2,1H3,(H,18,21)(H,23,24)(H3,17,19,20,22)/p-1/t9-/m1/s1