methyl 5-[[5-fluoranyl-2-[(4-methyl-3-sulfamoyl-phenyl)amino]pyrimidin-4-yl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[[5-fluoranyl-2-[(4-methyl-3-sulfamoyl-phenyl)amino]pyrimidin-4-yl]amino]thiophene-2-carboxylate Openeye Name: methyl 5-[[5-fluoro-2-(4-methyl-3-sulfamoyl-anilino)pyrimidin-4-yl]amino]thiophene-2-carboxylate CAS Name: 5-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)-4-pyrimidinyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]thiophene-2-carboxylate Traditional Name: 5-[[5-fluoro-2-(4-methyl-3-sulfamoyl-anilino)pyrimidin-4-yl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H16FN5O4S2 MolecularWeight: 437.468443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(S3)C(=O)OC)F)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(S3)C(=O)OC)F)S(=O)(=O)N

InChI

InChI=1S/C17H16FN5O4S2/c1-9-3-4-10(7-13(9)29(19,25)26)21-17-20-8-11(18)15(23-17)22-14-6-5-12(28-14)16(24)27-2/h3-8H,1-2H3,(H2,19,25,26)(H2,20,21,22,23)