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

Systemtic Name: N-(3-chlorophenyl)-2-ethylsulfonyl-5-[furan-2-ylmethyl-(phenylmethyl)amino]pyrimidine-4-carboxamide Openeye Name: 5-[benzyl(2-furylmethyl)amino]-N-(3-chlorophenyl)-2-ethylsulfonyl-pyrimidine-4-carboxamide CAS Name: N-(3-chlorophenyl)-2-ethylsulfonyl-5-[2-furanylmethyl-(phenylmethyl)amino]-4-pyrimidinecarboxamide IUPAC Name: 5-[benzyl(furan-2-ylmethyl)amino]-N-(3-chlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-[benzyl(2-furfuryl)amino]-N-(3-chlorophenyl)-2-esyl-pyrimidine-4-carboxamide Formula: C25H23ClN4O4S MolecularWeight: 510.99252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN4O4S/c1-2-35(32,33)25-27-15-22(23(29-25)24(31)28-20-11-6-10-19(26)14-20)30(17-21-12-7-13-34-21)16-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,28,31)