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

Systemtic Name: 2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[2-[(3-methoxyphenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-keto-2-(m-anisylthio)-6-methyl-1H-pyrimidin-5-yl]acetic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4S/c1-9-12(7-13(18)19)14(20)17-15(16-9)22-8-10-4-3-5-11(6-10)21-2/h3-6H,7-8H2,1-2H3,(H,18,19)(H,16,17,20)