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

Systemtic Name: 5-[(3-ethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-N-(4-methylphenyl)-2-methylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-[(3-ethoxyphenyl)methyl-(2-furylmethyl)amino]-2-methylsulfonyl-N-(p-tolyl)pyrimidine-4-carboxamide CAS Name: 5-[(3-ethoxyphenyl)methyl-(2-furanylmethyl)amino]-N-(4-methylphenyl)-2-methylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-[(3-ethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-N-(4-methylphenyl)-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-[(3-ethoxybenzyl)-(2-furfuryl)amino]-2-mesyl-N-(p-tolyl)pyrimidine-4-carboxamide Formula: C27H28N4O5S MolecularWeight: 520.60002

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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=C(C=C4)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O5S/c1-4-35-22-8-5-7-20(15-22)17-31(18-23-9-6-14-36-23)24-16-28-27(37(3,33)34)30-25(24)26(32)29-21-12-10-19(2)11-13-21/h5-16H,4,17-18H2,1-3H3,(H,29,32)