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

Systemtic Name: 3-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-(4-chlorobenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]propionic acid Formula: C15H15ClN2O3S MolecularWeight: 338.8092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O3S/c1-9-12(8-10-2-4-11(16)5-3-10)14(21)18-15(17-9)22-7-6-13(19)20/h2-5H,6-8H2,1H3,(H,19,20)(H,17,18,21)