N-(3-chloranyl-2-methyl-phenyl)-2-ethylsulfonyl-5-[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-ethylsulfonyl-5-[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-ethylsulfonyl-5-[2-furylmethyl(p-tolylmethyl)amino]pyrimidine-4-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-2-ethylsulfonyl-5-[2-furanylmethyl-[(4-methylphenyl)methyl]amino]-4-pyrimidinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-ethylsulfonyl-5-[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-esyl-5-[2-furfuryl-(4-methylbenzyl)amino]pyrimidine-4-carboxamide Formula: C27H27ClN4O4S MolecularWeight: 539.04568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN4O4S/c1-4-37(34,35)27-29-15-24(25(31-27)26(33)30-23-9-5-8-22(28)19(23)3)32(17-21-7-6-14-36-21)16-20-12-10-18(2)11-13-20/h5-15H,4,16-17H2,1-3H3,(H,30,33)