methyl 2-(6-methyl-4-oxidanylidene-2-pentylsulfanyl-1H-pyrimidin-5-yl)ethanoate

Systemtic Name: methyl 2-(6-methyl-4-oxidanylidene-2-pentylsulfanyl-1H-pyrimidin-5-yl)ethanoate Openeye Name: methyl 2-(6-methyl-4-oxo-2-pentylsulfanyl-1H-pyrimidin-5-yl)acetate CAS Name: 2-[6-methyl-4-oxo-2-(pentylthio)-1H-pyrimidin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-(6-methyl-4-oxo-2-pentylsulfanyl-1H-pyrimidin-5-yl)acetate Traditional Name: 2-[2-(amylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetic acid methyl ester Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=C(N1)C)CC(=O)OC

Isomeric SMILES

CCCCCSC1=NC(=O)C(=C(N1)C)CC(=O)OC

InChI

InChI=1S/C13H20N2O3S/c1-4-5-6-7-19-13-14-9(2)10(12(17)15-13)8-11(16)18-3/h4-8H2,1-3H3,(H,14,15,17)