(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-furyl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(2-furanyl)-4-methyl-6-(methylthio)-5-pyrimidinecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-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 (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H17ClN2O5S MolecularWeight: 432.87738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C20H17ClN2O5S/c1-11-16(19(29-2)23-18(22-11)15-4-3-5-26-15)20(24)27-9-13-7-14(21)6-12-8-25-10-28-17(12)13/h3-7H,8-10H2,1-2H3