2-[(6-azanyl-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoic acid

Systemtic Name: 2-[(6-azanyl-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoic acid Openeye Name: 2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoic acid CAS Name: 2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)thio]butanoic acid IUPAC Name: 2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoic acid Traditional Name: 2-[(6-amino-5-benzamido-4-keto-1H-pyrimidin-2-yl)thio]butyric acid Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)O)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H16N4O4S/c1-2-9(14(22)23)24-15-18-11(16)10(13(21)19-15)17-12(20)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,17,20)(H,22,23)(H3,16,18,19,21)