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

Systemtic Name: methyl 2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanoate Openeye Name: methyl 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]acetic acid methyl ester IUPAC Name: methyl 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]acetic acid methyl ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3S/c1-10-12(8-13(18)20-2)14(19)17-15(16-10)21-9-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,17,19)