2-[[2-fluoranyl-5-(propanoylamino)phenyl]amino]-4-[(2-sulfamoylphenyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 2-[[2-fluoranyl-5-(propanoylamino)phenyl]amino]-4-[(2-sulfamoylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[2-fluoro-5-(propanoylamino)anilino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide CAS Name: 2-[2-fluoro-5-(1-oxopropylamino)anilino]-4-(2-sulfamoylanilino)-5-pyrimidinecarboxamide IUPAC Name: 2-[2-fluoro-5-(propanoylamino)anilino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide Traditional Name: 2-(2-fluoro-5-propionamido-anilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide Formula: C20H20FN7O4S MolecularWeight: 473.480703

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)F)NC2=NC=C(C(=N2)NC3=CC=CC=C3S(=O)(=O)N)C(=O)N

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)F)NC2=NC=C(C(=N2)NC3=CC=CC=C3S(=O)(=O)N)C(=O)N

InChI

InChI=1S/C20H20FN7O4S/c1-2-17(29)25-11-7-8-13(21)15(9-11)27-20-24-10-12(18(22)30)19(28-20)26-14-5-3-4-6-16(14)33(23,31)32/h3-10H,2H2,1H3,(H2,22,30)(H,25,29)(H2,23,31,32)(H2,24,26,27,28)