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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)O)CC2=CC=C(C=C2)Cl

InChI

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