4-fluoranyl-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]amino]-2-methyl-phenol hydrochloride

Systemtic Name: 4-fluoranyl-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]amino]-2-methyl-phenol hydrochloride Openeye Name: 4-fluoro-5-[[6-methoxy-7-(3-thienylmethoxy)quinazolin-4-yl]amino]-2-methyl-phenol hydrochloride CAS Name: 4-fluoro-5-[[6-methoxy-7-(3-thiophenylmethoxy)-4-quinazolinyl]amino]-2-methylphenol hydrochloride IUPAC Name: 4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol hydrochloride Traditional Name: 4-fluoro-5-[[6-methoxy-7-(3-thenyloxy)quinazolin-4-yl]amino]-2-methyl-phenol hydrochloride Formula: C21H19ClFN3O3S MolecularWeight: 447.910263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1O)NC2=NC=NC3=CC(=C(C=C32)OC)OCC4=CSC=C4)F.Cl

Isomeric SMILES

CC1=CC(=C(C=C1O)NC2=NC=NC3=CC(=C(C=C32)OC)OCC4=CSC=C4)F.Cl

InChI

InChI=1S/C21H18FN3O3S.ClH/c1-12-5-15(22)17(7-18(12)26)25-21-14-6-19(27-2)20(8-16(14)23-11-24-21)28-9-13-3-4-29-10-13;/h3-8,10-11,26H,9H2,1-2H3,(H,23,24,25);1H