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

Systemtic Name: 5-[(3-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-N-(2,4-dimethylphenyl)-2-ethylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-[(3-chlorophenyl)methyl-(2-furylmethyl)amino]-N-(2,4-dimethylphenyl)-2-ethylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-[(3-chlorophenyl)methyl-(2-furanylmethyl)amino]-N-(2,4-dimethylphenyl)-2-ethylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-[(3-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-N-(2,4-dimethylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-[(3-chlorobenzyl)-(2-furfuryl)amino]-N-(2,4-dimethylphenyl)-2-esyl-pyrimidine-4-carboxamide Formula: C27H27ClN4O4S MolecularWeight: 539.04568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN4O4S/c1-4-37(34,35)27-29-15-24(25(31-27)26(33)30-23-11-10-18(2)13-19(23)3)32(17-22-9-6-12-36-22)16-20-7-5-8-21(28)14-20/h5-15H,4,16-17H2,1-3H3,(H,30,33)