(4-methoxyphenyl) 2-ethylsulfonyl-5-[furan-2-ylmethyl-(phenylmethyl)amino]pyrimidine-4-carboxylate

Systemtic Name: (4-methoxyphenyl) 2-ethylsulfonyl-5-[furan-2-ylmethyl-(phenylmethyl)amino]pyrimidine-4-carboxylate Openeye Name: (4-methoxyphenyl) 5-[benzyl(2-furylmethyl)amino]-2-ethylsulfonyl-pyrimidine-4-carboxylate CAS Name: 2-ethylsulfonyl-5-[2-furanylmethyl-(phenylmethyl)amino]-4-pyrimidinecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 5-[benzyl(furan-2-ylmethyl)amino]-2-ethylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-[benzyl(2-furfuryl)amino]-2-esyl-pyrimidine-4-carboxylic acid (4-methoxyphenyl) ester Formula: C26H25N3O6S MolecularWeight: 507.5582

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=CC=C(C=C2)OC)N(CC3=CC=CC=C3)CC4=CC=CO4

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=CC=C(C=C2)OC)N(CC3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C26H25N3O6S/c1-3-36(31,32)26-27-16-23(24(28-26)25(30)35-21-13-11-20(33-2)12-14-21)29(18-22-10-7-15-34-22)17-19-8-5-4-6-9-19/h4-16H,3,17-18H2,1-2H3