2-[3-(4-butylphenyl)-6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-butylphenyl)-6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-(4-butylphenyl)-6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-(4-butylphenyl)-6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-(4-butylphenyl)-6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[3-(4-butylphenyl)-4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(NC2=S)C)CC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(NC2=S)C)CC(=O)O

InChI

InChI=1S/C17H20N2O3S/c1-3-4-5-12-6-8-13(9-7-12)19-16(22)14(10-15(20)21)11(2)18-17(19)23/h6-9H,3-5,10H2,1-2H3,(H,18,23)(H,20,21)