butyl 2-(6-methyl-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)ethanoate

Systemtic Name: butyl 2-(6-methyl-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)ethanoate Openeye Name: butyl 2-(2-allylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetate CAS Name: 2-[6-methyl-4-oxo-2-(prop-2-enylthio)-1H-pyrimidin-5-yl]acetic acid butyl ester IUPAC Name: butyl 2-(6-methyl-4-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)acetate Traditional Name: 2-[2-(allylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetic acid butyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1=C(NC(=NC1=O)SCC=C)C

Isomeric SMILES

CCCCOC(=O)CC1=C(NC(=NC1=O)SCC=C)C

InChI

InChI=1S/C14H20N2O3S/c1-4-6-7-19-12(17)9-11-10(3)15-14(16-13(11)18)20-8-5-2/h5H,2,4,6-9H2,1,3H3,(H,15,16,18)