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

Systemtic Name: 5-[(4-ethylphenyl)methyl-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)-2-methylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-[(4-ethylphenyl)methyl-(2-furylmethyl)amino]-2-methylsulfonyl-N-(m-tolyl)pyrimidine-4-carboxamide CAS Name: 5-[(4-ethylphenyl)methyl-(2-furanylmethyl)amino]-N-(3-methylphenyl)-2-methylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-[(4-ethylphenyl)methyl-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-[(4-ethylbenzyl)-(2-furfuryl)amino]-2-mesyl-N-(m-tolyl)pyrimidine-4-carboxamide Formula: C27H28N4O4S MolecularWeight: 504.60062

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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)NC4=CC=CC(=C4)C)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CN(CC2=CC=CO2)C3=CN=C(N=C3C(=O)NC4=CC=CC(=C4)C)S(=O)(=O)C

InChI

InChI=1S/C27H28N4O4S/c1-4-20-10-12-21(13-11-20)17-31(18-23-9-6-14-35-23)24-16-28-27(36(3,33)34)30-25(24)26(32)29-22-8-5-7-19(2)15-22/h5-16H,4,17-18H2,1-3H3,(H,29,32)