4-[2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C15H15N3O4S/c1-8-9(2)16-15(18-13(8)20)23-7-12(19)17-11-5-3-10(4-6-11)14(21)22/h3-6H,7H2,1-2H3,(H,17,19)(H,21,22)(H,16,18,20)