[4-[[3-fluoranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]quinazolin-6-yl] ethanoate dihydrochloride

Systemtic Name: [4-[[3-fluoranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]quinazolin-6-yl] ethanoate dihydrochloride Openeye Name: [4-[3-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]quinazolin-6-yl] acetate dihydrochloride CAS Name: acetic acid [4-[3-fluoro-4-[(1-methyl-2-imidazolyl)thio]anilino]-6-quinazolinyl] ester dihydrochloride IUPAC Name: [4-[3-fluoro-4-(1-methylimidazol-2-yl)sulfanylanilino]quinazolin-6-yl] acetate dihydrochloride Traditional Name: acetic acid [4-[3-fluoro-4-[(1-methylimidazol-2-yl)thio]anilino]quinazolin-6-yl] ester dihydrochloride Formula: C20H18Cl2FN5O2S MolecularWeight: 482.358623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)SC4=NC=CN4C)F.Cl.Cl

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)SC4=NC=CN4C)F.Cl.Cl

InChI

InChI=1S/C20H16FN5O2S.2ClH/c1-12(27)28-14-4-5-17-15(10-14)19(24-11-23-17)25-13-3-6-18(16(21)9-13)29-20-22-7-8-26(20)2;;/h3-11H,1-2H3,(H,23,24,25);2*1H