methyl 2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-6-carboxylate Openeye Name: methyl 2-(m-tolylmethylsulfanyl)-4-oxo-1H-pyrimidine-6-carboxylate CAS Name: 2-[(3-methylphenyl)methylthio]-4-oxo-1H-pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-6-carboxylate Traditional Name: 4-keto-2-[(3-methylbenzyl)thio]-1H-pyrimidine-6-carboxylic acid methyl ester Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=O)C=C(N2)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=O)C=C(N2)C(=O)OC

InChI

InChI=1S/C14H14N2O3S/c1-9-4-3-5-10(6-9)8-20-14-15-11(13(18)19-2)7-12(17)16-14/h3-7H,8H2,1-2H3,(H,15,16,17)