5-[(3-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide

Systemtic Name: 5-[(3-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide Openeye Name: 5-[(3-chlorophenyl)methyl-(2-furylmethyl)amino]-2-ethylsulfonyl-N-(p-tolyl)pyrimidine-4-carboxamide CAS Name: 5-[(3-chlorophenyl)methyl-(2-furanylmethyl)amino]-2-ethylsulfonyl-N-(4-methylphenyl)-4-pyrimidinecarboxamide IUPAC Name: 5-[(3-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide Traditional Name: 5-[(3-chlorobenzyl)-(2-furfuryl)amino]-2-esyl-N-(p-tolyl)pyrimidine-4-carboxamide Formula: C26H25ClN4O4S MolecularWeight: 525.0191

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C)N(CC3=CC(=CC=C3)Cl)CC4=CC=CO4

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C)N(CC3=CC(=CC=C3)Cl)CC4=CC=CO4

InChI

InChI=1S/C26H25ClN4O4S/c1-3-36(33,34)26-28-15-23(24(30-26)25(32)29-21-11-9-18(2)10-12-21)31(17-22-8-5-13-35-22)16-19-6-4-7-20(27)14-19/h4-15H,3,16-17H2,1-2H3,(H,29,32)