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

Systemtic Name: 5-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-methylsulfonyl-pyrimidine-4-carboxylic acid Openeye Name: 5-[2-furylmethyl-[(4-methoxyphenyl)methyl]amino]-2-methylsulfonyl-pyrimidine-4-carboxylic acid CAS Name: 5-[2-furanylmethyl-[(4-methoxyphenyl)methyl]amino]-2-methylsulfonyl-4-pyrimidinecarboxylic acid IUPAC Name: 5-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-methylsulfonylpyrimidine-4-carboxylic acid Traditional Name: 5-[2-furfuryl(p-anisyl)amino]-2-mesyl-pyrimidine-4-carboxylic acid Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=CO2)C3=CN=C(N=C3C(=O)O)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=CO2)C3=CN=C(N=C3C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C19H19N3O6S/c1-27-14-7-5-13(6-8-14)11-22(12-15-4-3-9-28-15)16-10-20-19(29(2,25)26)21-17(16)18(23)24/h3-10H,11-12H2,1-2H3,(H,23,24)