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

Systemtic Name: 2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanoate Openeye Name: 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetate CAS Name: 2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]acetate IUPAC Name: 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetate Traditional Name: 2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetate Formula: C14H13N2O3S- MolecularWeight: 289.32962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)[O-]

InChI

InChI=1S/C14H14N2O3S/c1-9-11(7-12(17)18)13(19)16-14(15-9)20-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,17,18)(H,15,16,19)/p-1