2,4-bis(oxidanylidene)-3-(4-propan-2-yl-2-sulfanyl-phenyl)-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-bis(oxidanylidene)-3-(4-propan-2-yl-2-sulfanyl-phenyl)-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-(4-isopropyl-2-sulfanyl-phenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 3-(2-mercapto-4-propan-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2,4-dioxo-3-(4-propan-2-yl-2-sulfanylphenyl)-1H-pyrimidine-5-carboxylic acid Traditional Name: 3-(4-isopropyl-2-mercapto-phenyl)-2,4-diketo-1H-pyrimidine-5-carboxylic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)O)S

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)O)S

InChI

InChI=1S/C14H14N2O4S/c1-7(2)8-3-4-10(11(21)5-8)16-12(17)9(13(18)19)6-15-14(16)20/h3-7,21H,1-2H3,(H,15,20)(H,18,19)