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

Systemtic Name: 2-ethylsulfonyl-5-[furan-2-ylmethyl-(phenylmethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide Openeye Name: 5-[benzyl(2-furylmethyl)amino]-2-ethylsulfonyl-N-(p-tolyl)pyrimidine-4-carboxamide CAS Name: 2-ethylsulfonyl-5-[2-furanylmethyl-(phenylmethyl)amino]-N-(4-methylphenyl)-4-pyrimidinecarboxamide IUPAC Name: 5-[benzyl(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide Traditional Name: 5-[benzyl(2-furfuryl)amino]-2-esyl-N-(p-tolyl)pyrimidine-4-carboxamide Formula: C26H26N4O4S MolecularWeight: 490.57404

Click to see the large picture

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)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)CC4=CC=CO4

InChI

InChI=1S/C26H26N4O4S/c1-3-35(32,33)26-27-16-23(24(29-26)25(31)28-21-13-11-19(2)12-14-21)30(18-22-10-7-15-34-22)17-20-8-5-4-6-9-20/h4-16H,3,17-18H2,1-2H3,(H,28,31)