5-[(4-ethylphenyl)methyl-(furan-2-ylmethyl)amino]-2-methylsulfonyl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-[(4-ethylphenyl)methyl-(furan-2-ylmethyl)amino]-2-methylsulfonyl-pyrimidine-4-carboxylic acid Openeye Name: 5-[(4-ethylphenyl)methyl-(2-furylmethyl)amino]-2-methylsulfonyl-pyrimidine-4-carboxylic acid CAS Name: 5-[(4-ethylphenyl)methyl-(2-furanylmethyl)amino]-2-methylsulfonyl-4-pyrimidinecarboxylic acid IUPAC Name: 5-[(4-ethylphenyl)methyl-(furan-2-ylmethyl)amino]-2-methylsulfonylpyrimidine-4-carboxylic acid Traditional Name: 5-[(4-ethylbenzyl)-(2-furfuryl)amino]-2-mesyl-pyrimidine-4-carboxylic acid Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(CC2=CC=CO2)C3=CN=C(N=C3C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CN(CC2=CC=CO2)C3=CN=C(N=C3C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C20H21N3O5S/c1-3-14-6-8-15(9-7-14)12-23(13-16-5-4-10-28-16)17-11-21-20(29(2,26)27)22-18(17)19(24)25/h4-11H,3,12-13H2,1-2H3,(H,24,25)