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

Systemtic Name: N-(2,5-dimethylphenyl)-2-ethylsulfonyl-5-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]pyrimidine-4-carboxamide Openeye Name: N-(2,5-dimethylphenyl)-2-ethylsulfonyl-5-[(3-fluorophenyl)methyl-(2-furylmethyl)amino]pyrimidine-4-carboxamide CAS Name: N-(2,5-dimethylphenyl)-2-ethylsulfonyl-5-[(3-fluorophenyl)methyl-(2-furanylmethyl)amino]-4-pyrimidinecarboxamide IUPAC Name: N-(2,5-dimethylphenyl)-2-ethylsulfonyl-5-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]pyrimidine-4-carboxamide Traditional Name: N-(2,5-dimethylphenyl)-2-esyl-5-[(3-fluorobenzyl)-(2-furfuryl)amino]pyrimidine-4-carboxamide Formula: C27H27FN4O4S MolecularWeight: 522.591083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27FN4O4S/c1-4-37(34,35)27-29-15-24(25(31-27)26(33)30-23-13-18(2)10-11-19(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)