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

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[2-[(3-chlorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-[(3-chlorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]acetic acid Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)O

InChI

InChI=1S/C14H13ClN2O3S/c1-8-11(6-12(18)19)13(20)17-14(16-8)21-7-9-3-2-4-10(15)5-9/h2-5H,6-7H2,1H3,(H,18,19)(H,16,17,20)