N-(4-bromophenyl)-5-[furan-2-ylmethyl-(phenylmethyl)amino]-2-methylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: N-(4-bromophenyl)-5-[furan-2-ylmethyl-(phenylmethyl)amino]-2-methylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-[benzyl(2-furylmethyl)amino]-N-(4-bromophenyl)-2-methylsulfonyl-pyrimidine-4-carboxamide CAS Name: N-(4-bromophenyl)-5-[2-furanylmethyl-(phenylmethyl)amino]-2-methylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-[benzyl(furan-2-ylmethyl)amino]-N-(4-bromophenyl)-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-[benzyl(2-furfuryl)amino]-N-(4-bromophenyl)-2-mesyl-pyrimidine-4-carboxamide Formula: C24H21BrN4O4S MolecularWeight: 541.41694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21BrN4O4S/c1-34(31,32)24-26-14-21(22(28-24)23(30)27-19-11-9-18(25)10-12-19)29(16-20-8-5-13-33-20)15-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3,(H,27,30)