N4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N6-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-dicarboxamide

Systemtic Name: N4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N6-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-dicarboxamide CAS Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-N-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N-(coumaran-5-ylmethyl)-N'-(4-mesylbenzyl)pyrimidine-4,6-dicarboxamide Formula: C23H22N4O5S MolecularWeight: 466.50958

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C23H22N4O5S/c1-33(30,31)18-5-2-15(3-6-18)12-24-22(28)19-11-20(27-14-26-19)23(29)25-13-16-4-7-21-17(10-16)8-9-32-21/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,24,28)(H,25,29)