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

Systemtic Name: 2-[[6-azanyl-5-[(4-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[[6-amino-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid CAS Name: 2-[[6-amino-5-[[(4-fluorophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]hexanoic acid IUPAC Name: 2-[[6-amino-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[6-amino-5-[(4-fluorobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]hexanoic acid Formula: C17H19FN4O4S MolecularWeight: 394.420563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCC(C(=O)O)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H19FN4O4S/c1-2-3-4-11(16(25)26)27-17-21-13(19)12(15(24)22-17)20-14(23)9-5-7-10(18)8-6-9/h5-8,11H,2-4H2,1H3,(H,20,23)(H,25,26)(H3,19,21,22,24)