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

Systemtic Name: 2-ethylsulfonyl-5-[furan-2-ylmethyl-(phenylmethyl)amino]-N-phenyl-pyrimidine-4-carboxamide Openeye Name: 5-[benzyl(2-furylmethyl)amino]-2-ethylsulfonyl-N-phenyl-pyrimidine-4-carboxamide CAS Name: 2-ethylsulfonyl-5-[2-furanylmethyl-(phenylmethyl)amino]-N-phenyl-4-pyrimidinecarboxamide IUPAC Name: 5-[benzyl(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide Traditional Name: 5-[benzyl(2-furfuryl)amino]-2-esyl-N-phenyl-pyrimidine-4-carboxamide Formula: C25H24N4O4S MolecularWeight: 476.54746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O4S/c1-2-34(31,32)25-26-16-22(23(28-25)24(30)27-20-12-7-4-8-13-20)29(18-21-14-9-15-33-21)17-19-10-5-3-6-11-19/h3-16H,2,17-18H2,1H3,(H,27,30)