5-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]amino]-N-(4-methylphenyl)-2-methylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]amino]-N-(4-methylphenyl)-2-methylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-[2-furylmethyl-[(4-propoxyphenyl)methyl]amino]-2-methylsulfonyl-N-(p-tolyl)pyrimidine-4-carboxamide CAS Name: 5-[2-furanylmethyl-[(4-propoxyphenyl)methyl]amino]-N-(4-methylphenyl)-2-methylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]amino]-N-(4-methylphenyl)-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-[2-furfuryl-(4-propoxybenzyl)amino]-2-mesyl-N-(p-tolyl)pyrimidine-4-carboxamide Formula: C28H30N4O5S MolecularWeight: 534.6266

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CN(CC2=CC=CO2)C3=CN=C(N=C3C(=O)NC4=CC=C(C=C4)C)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)CN(CC2=CC=CO2)C3=CN=C(N=C3C(=O)NC4=CC=C(C=C4)C)S(=O)(=O)C

InChI

InChI=1S/C28H30N4O5S/c1-4-15-36-23-13-9-21(10-14-23)18-32(19-24-6-5-16-37-24)25-17-29-28(38(3,34)35)31-26(25)27(33)30-22-11-7-20(2)8-12-22/h5-14,16-17H,4,15,18-19H2,1-3H3,(H,30,33)