[2-[2-(furan-2-ylcarbonyl)hydrazinyl]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [2-[2-(furan-2-ylcarbonyl)hydrazinyl]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-[2-(furan-2-carbonyl)hydrazino]-2-oxo-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [2-[[2-furanyl(oxo)methyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [2-[N'-(2-furoyl)hydrazino]-2-keto-ethyl] ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)NNC(=O)C2=CC=CO2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)NNC(=O)C2=CC=CO2

InChI

InChI=1S/C17H20N4O5S/c1-10-12(11(2)19-17(18-10)27-3)6-7-15(23)26-9-14(22)20-21-16(24)13-5-4-8-25-13/h4-5,8H,6-7,9H2,1-3H3,(H,20,22)(H,21,24)