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

Systemtic Name: 2-[[6-azanyl-5-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[[6-amino-5-[(4-methylbenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 2-[[6-amino-5-[[(4-methylphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 2-[[6-amino-5-[(4-methylbenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[6-amino-4-keto-5-(p-toluoylamino)-1H-pyrimidin-2-yl]thio]propionic acid Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SC(C)C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SC(C)C(=O)O)N

InChI

InChI=1S/C15H16N4O4S/c1-7-3-5-9(6-4-7)12(20)17-10-11(16)18-15(19-13(10)21)24-8(2)14(22)23/h3-6,8H,1-2H3,(H,17,20)(H,22,23)(H3,16,18,19,21)