(1-cyanoindolizin-2-yl)methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(2-furyl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(2-furanyl)-4-methyl-6-(methylthio)-5-pyrimidinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(2-furyl)-4-methyl-6-(methylthio)pyrimidine-5-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C21H16N4O3S/c1-13-18(20(29-2)24-19(23-13)17-7-5-9-27-17)21(26)28-12-14-11-25-8-4-3-6-16(25)15(14)10-22/h3-9,11H,12H2,1-2H3