4-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[(3-methoxyphenyl)methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-4-(m-anisylthio)-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O4S/c1-8-11(13(17)18)12(16-14(19)15-8)21-7-9-4-3-5-10(6-9)20-2/h3-6H,7H2,1-2H3,(H,17,18)(H,15,16,19)