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

Systemtic Name: methyl 5-[[5-fluoranyl-2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]thiophene-2-carboxylate Openeye Name: methyl 5-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]thiophene-2-carboxylate CAS Name: 5-[[5-fluoro-2-(3-sulfamoylanilino)-4-pyrimidinyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]thiophene-2-carboxylate Traditional Name: 5-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H14FN5O4S2 MolecularWeight: 423.441863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C16H14FN5O4S2/c1-26-15(23)12-5-6-13(27-12)21-14-11(17)8-19-16(22-14)20-9-3-2-4-10(7-9)28(18,24)25/h2-8H,1H3,(H2,18,24,25)(H2,19,20,21,22)