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

Systemtic Name: (2R)-2-[[6-azanyl-5-[(4-ethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Openeye Name: (2R)-2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid CAS Name: (2R)-2-[[6-amino-5-[[(4-ethoxyphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]hexanoic acid IUPAC Name: (2R)-2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Traditional Name: (2R)-2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]hexanoic acid Formula: C19H24N4O5S MolecularWeight: 420.48266

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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)OCC

Isomeric SMILES

CCCC[C@H](C(=O)O)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C19H24N4O5S/c1-3-5-6-13(18(26)27)29-19-22-15(20)14(17(25)23-19)21-16(24)11-7-9-12(10-8-11)28-4-2/h7-10,13H,3-6H2,1-2H3,(H,21,24)(H,26,27)(H3,20,22,23,25)/t13-/m1/s1