N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-fluoranyl-quinazolin-2-yl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-fluoranyl-quinazolin-2-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-fluoro-quinazolin-2-yl]sulfanylphenyl]acetamide CAS Name: N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-fluoro-2-quinazolinyl]thio]phenyl]acetamide IUPAC Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-fluoroquinazolin-2-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-fluoro-quinazolin-2-yl]thio]phenyl]acetamide Formula: C22H19FN6OS MolecularWeight: 434.489263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SC2=NC3=C(C=CC=C3F)C(=N2)NC4=NNC(=C4)C5CC5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC2=NC3=C(C=CC=C3F)C(=N2)NC4=NNC(=C4)C5CC5

InChI

InChI=1S/C22H19FN6OS/c1-12(30)24-14-7-9-15(10-8-14)31-22-26-20-16(3-2-4-17(20)23)21(27-22)25-19-11-18(28-29-19)13-5-6-13/h2-4,7-11,13H,5-6H2,1H3,(H,24,30)(H2,25,26,27,28,29)