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

Systemtic Name: 5-[furan-2-ylmethyl-(phenylmethyl)amino]-N-(4-methylphenyl)-2-propylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-[benzyl(2-furylmethyl)amino]-2-propylsulfonyl-N-(p-tolyl)pyrimidine-4-carboxamide CAS Name: 5-[2-furanylmethyl-(phenylmethyl)amino]-N-(4-methylphenyl)-2-propylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-[benzyl(furan-2-ylmethyl)amino]-N-(4-methylphenyl)-2-propylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-[benzyl(2-furfuryl)amino]-2-propylsulfonyl-N-(p-tolyl)pyrimidine-4-carboxamide Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=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

CCCS(=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/C27H28N4O4S/c1-3-16-36(33,34)27-28-17-24(25(30-27)26(32)29-22-13-11-20(2)12-14-22)31(19-23-10-7-15-35-23)18-21-8-5-4-6-9-21/h4-15,17H,3,16,18-19H2,1-2H3,(H,29,32)