methyl 4-[2-[(3-fluoranyl-2-methyl-phenyl)amino]-5-methyl-pyrimidin-4-yl]-1-(4-methylphenyl)sulfonyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[(3-fluoranyl-2-methyl-phenyl)amino]-5-methyl-pyrimidin-4-yl]-1-(4-methylphenyl)sulfonyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-(3-fluoro-2-methyl-anilino)-5-methyl-pyrimidin-4-yl]-1-(p-tolylsulfonyl)pyrrole-2-carboxylate CAS Name: 4-[2-(3-fluoro-2-methylanilino)-5-methyl-4-pyrimidinyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(3-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate Traditional Name: 4-[2-(3-fluoro-2-methyl-anilino)-5-methyl-pyrimidin-4-yl]-1-tosyl-pyrrole-2-carboxylic acid methyl ester Formula: C25H23FN4O4S MolecularWeight: 494.537923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)OC)C3=NC(=NC=C3C)NC4=C(C(=CC=C4)F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)OC)C3=NC(=NC=C3C)NC4=C(C(=CC=C4)F)C

InChI

InChI=1S/C25H23FN4O4S/c1-15-8-10-19(11-9-15)35(32,33)30-14-18(12-22(30)24(31)34-4)23-16(2)13-27-25(29-23)28-21-7-5-6-20(26)17(21)3/h5-14H,1-4H3,(H,27,28,29)