2-[[6-azanyl-5-[(3,4-dimethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid

Systemtic Name: 2-[[6-azanyl-5-[(3,4-dimethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[[6-amino-5-[(3,4-dimethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid CAS Name: 2-[[6-amino-5-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]hexanoic acid IUPAC Name: 2-[[6-amino-5-[(3,4-dimethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[6-amino-4-keto-5-(veratroylamino)-1H-pyrimidin-2-yl]thio]hexanoic acid Formula: C19H24N4O6S MolecularWeight: 436.48206

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O6S/c1-4-5-6-13(18(26)27)30-19-22-15(20)14(17(25)23-19)21-16(24)10-7-8-11(28-2)12(9-10)29-3/h7-9,13H,4-6H2,1-3H3,(H,21,24)(H,26,27)(H3,20,22,23,25)