methyl 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[(2,5-dimethylphenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[(2,5-dimethylbenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-10-4-5-11(2)12(6-10)9-22-16-17-13(7-14(19)18-16)8-15(20)21-3/h4-7H,8-9H2,1-3H3,(H,17,18,19)