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

Systemtic Name: 5-[(3-ethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-(3-methylphenyl)pyrimidine-4-carboxamide Openeye Name: 5-[(3-ethoxyphenyl)methyl-(2-furylmethyl)amino]-2-ethylsulfonyl-N-(m-tolyl)pyrimidine-4-carboxamide CAS Name: 5-[(3-ethoxyphenyl)methyl-(2-furanylmethyl)amino]-2-ethylsulfonyl-N-(3-methylphenyl)-4-pyrimidinecarboxamide IUPAC Name: 5-[(3-ethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-(3-methylphenyl)pyrimidine-4-carboxamide Traditional Name: 2-esyl-5-[(3-ethoxybenzyl)-(2-furfuryl)amino]-N-(m-tolyl)pyrimidine-4-carboxamide Formula: C28H30N4O5S MolecularWeight: 534.6266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CN(CC2=CC=CO2)C3=CN=C(N=C3C(=O)NC4=CC=CC(=C4)C)S(=O)(=O)CC

Isomeric SMILES

CCOC1=CC=CC(=C1)CN(CC2=CC=CO2)C3=CN=C(N=C3C(=O)NC4=CC=CC(=C4)C)S(=O)(=O)CC

InChI

InChI=1S/C28H30N4O5S/c1-4-36-23-12-7-10-21(16-23)18-32(19-24-13-8-14-37-24)25-17-29-28(38(34,35)5-2)31-26(25)27(33)30-22-11-6-9-20(3)15-22/h6-17H,4-5,18-19H2,1-3H3,(H,30,33)