6-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]sulfanyl-N-oxidanyl-hexanamide

Systemtic Name: 6-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]sulfanyl-N-oxidanyl-hexanamide Openeye Name: 6-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]sulfanylhexanehydroxamic acid CAS Name: 6-[[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]thio]-N-hydroxyhexanamide IUPAC Name: 6-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]sulfanyl-N-hydroxyhexanamide Traditional Name: 6-[[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]thio]hexanehydroxamic acid Formula: C21H22ClFN4O3S MolecularWeight: 464.940783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)SCCCCCC(=O)NO

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)SCCCCCC(=O)NO

InChI

InChI=1S/C21H22ClFN4O3S/c1-30-18-11-17-14(10-19(18)31-8-4-2-3-5-20(28)27-29)21(25-12-24-17)26-13-6-7-16(23)15(22)9-13/h6-7,9-12,29H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)