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

Systemtic Name: N-(1-ethylpyrazol-3-yl)-6-(2-fluoranyl-6-methylsulfonyl-phenoxy)quinazolin-4-amine Openeye Name: N-(1-ethylpyrazol-3-yl)-6-(2-fluoro-6-methylsulfonyl-phenoxy)quinazolin-4-amine CAS Name: N-(1-ethyl-3-pyrazolyl)-6-(2-fluoro-6-methylsulfonylphenoxy)-4-quinazolinamine IUPAC Name: N-(1-ethylpyrazol-3-yl)-6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine Traditional Name: (1-ethylpyrazol-3-yl)-[6-(2-fluoro-6-mesyl-phenoxy)quinazolin-4-yl]amine Formula: C20H18FN5O3S MolecularWeight: 427.452023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)NC2=NC=NC3=C2C=C(C=C3)OC4=C(C=CC=C4S(=O)(=O)C)F

Isomeric SMILES

CCN1C=CC(=N1)NC2=NC=NC3=C2C=C(C=C3)OC4=C(C=CC=C4S(=O)(=O)C)F

InChI

InChI=1S/C20H18FN5O3S/c1-3-26-10-9-18(25-26)24-20-14-11-13(7-8-16(14)22-12-23-20)29-19-15(21)5-4-6-17(19)30(2,27)28/h4-12H,3H2,1-2H3,(H,22,23,24,25)