N-(2-fluoranyl-6-methylsulfonyl-phenoxy)quinazolin-4-amine; 1H-pyrazole

Systemtic Name: N-(2-fluoranyl-6-methylsulfonyl-phenoxy)quinazolin-4-amine; 1H-pyrazole Openeye Name: N-(2-fluoro-6-methylsulfonyl-phenoxy)quinazolin-4-amine; 1H-pyrazole CAS Name: N-(2-fluoro-6-methylsulfonylphenoxy)-4-quinazolinamine; 1H-pyrazole IUPAC Name: N-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine; 1H-pyrazole Traditional Name: (2-fluoro-6-mesyl-phenoxy)-quinazolin-4-yl-amine; 1H-pyrazole Formula: C18H16FN5O3S MolecularWeight: 401.414743

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1ONC2=NC=NC3=CC=CC=C32)F.C1=CNN=C1

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1ONC2=NC=NC3=CC=CC=C32)F.C1=CNN=C1

InChI

InChI=1S/C15H12FN3O3S.C3H4N2/c1-23(20,21)13-8-4-6-11(16)14(13)22-19-15-10-5-2-3-7-12(10)17-9-18-15;1-2-4-5-3-1/h2-9H,1H3,(H,17,18,19);1-3H,(H,4,5)