6-(2-fluoranyl-6-methylsulfonyl-phenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine

Systemtic Name: 6-(2-fluoranyl-6-methylsulfonyl-phenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine Openeye Name: 6-(2-fluoro-6-methylsulfonyl-phenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine CAS Name: 6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methyl-2-pyrazinyl)-4-quinazolinamine IUPAC Name: 6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine Traditional Name: [6-(2-fluoro-6-mesyl-phenoxy)quinazolin-4-yl]-(5-methylpyrazin-2-yl)amine Formula: C20H16FN5O3S MolecularWeight: 425.436143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)NC2=NC=NC3=C2C=C(C=C3)OC4=C(C=CC=C4S(=O)(=O)C)F

Isomeric SMILES

CC1=CN=C(C=N1)NC2=NC=NC3=C2C=C(C=C3)OC4=C(C=CC=C4S(=O)(=O)C)F

InChI

InChI=1S/C20H16FN5O3S/c1-12-9-23-18(10-22-12)26-20-14-8-13(6-7-16(14)24-11-25-20)29-19-15(21)4-3-5-17(19)30(2,27)28/h3-11H,1-2H3,(H,23,24,25,26)