6-(2-bromoethyloxy)-N-[3-fluoranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]quinazolin-4-amine

Systemtic Name: 6-(2-bromoethyloxy)-N-[3-fluoranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]quinazolin-4-amine Openeye Name: 6-(2-bromoethoxy)-N-[3-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]quinazolin-4-amine CAS Name: 6-(2-bromoethoxy)-N-[3-fluoro-4-[(1-methyl-2-imidazolyl)thio]phenyl]-4-quinazolinamine IUPAC Name: 6-(2-bromoethoxy)-N-[3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]quinazolin-4-amine Traditional Name: [6-(2-bromoethoxy)quinazolin-4-yl]-[3-fluoro-4-[(1-methylimidazol-2-yl)thio]phenyl]amine Formula: C20H17BrFN5OS MolecularWeight: 474.349283

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)OCCBr)F

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)OCCBr)F

InChI

InChI=1S/C20H17BrFN5OS/c1-27-8-7-23-20(27)29-18-5-2-13(10-16(18)22)26-19-15-11-14(28-9-6-21)3-4-17(15)24-12-25-19/h2-5,7-8,10-12H,6,9H2,1H3,(H,24,25,26)