6-(2-fluoranyl-4-methylsulfonyl-phenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine

Systemtic Name: 6-(2-fluoranyl-4-methylsulfonyl-phenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine Openeye Name: 6-(2-fluoro-4-methylsulfonyl-phenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine CAS Name: 6-(2-fluoro-4-methylsulfonylphenoxy)-N-(1-methyl-3-pyrazolyl)-4-quinazolinamine IUPAC Name: 6-(2-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine Traditional Name: [6-(2-fluoro-4-mesyl-phenoxy)quinazolin-4-yl]-(1-methylpyrazol-3-yl)amine Formula: C19H16FN5O3S MolecularWeight: 413.425443

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC2=NC=NC3=C2C=C(C=C3)OC4=C(C=C(C=C4)S(=O)(=O)C)F

Isomeric SMILES

CN1C=CC(=N1)NC2=NC=NC3=C2C=C(C=C3)OC4=C(C=C(C=C4)S(=O)(=O)C)F

InChI

InChI=1S/C19H16FN5O3S/c1-25-8-7-18(24-25)23-19-14-9-12(3-5-16(14)21-11-22-19)28-17-6-4-13(10-15(17)20)29(2,26)27/h3-11H,1-2H3,(H,21,22,23,24)