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

Systemtic Name: 2-[[6-azanyl-5-[(4-ethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 2-[[6-amino-5-[[(4-ethoxyphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]propionic acid Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SC(C)C(=O)O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SC(C)C(=O)O)N

InChI

InChI=1S/C16H18N4O5S/c1-3-25-10-6-4-9(5-7-10)13(21)18-11-12(17)19-16(20-14(11)22)26-8(2)15(23)24/h4-8H,3H2,1-2H3,(H,18,21)(H,23,24)(H3,17,19,20,22)