ethyl 5-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-(2,6-dimethyl-4-pyrimidinyl)-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-(2,6-dimethylpyrimidin-4-yl)piperazino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C

InChI

InChI=1S/C17H22N4O5S/c1-4-25-17(22)14-5-6-16(26-14)27(23,24)21-9-7-20(8-10-21)15-11-12(2)18-13(3)19-15/h5-6,11H,4,7-10H2,1-3H3