2-[2-[(2-imidazol-1-yl-6-methylsulfanyl-quinazolin-4-yl)amino]ethoxy]ethanol dihydrochloride

Systemtic Name: 2-[2-[(2-imidazol-1-yl-6-methylsulfanyl-quinazolin-4-yl)amino]ethoxy]ethanol dihydrochloride Openeye Name: 2-[2-[(2-imidazol-1-yl-6-methylsulfanyl-quinazolin-4-yl)amino]ethoxy]ethanol dihydrochloride CAS Name: 2-[2-[[2-(1-imidazolyl)-6-(methylthio)-4-quinazolinyl]amino]ethoxy]ethanol dihydrochloride IUPAC Name: 2-[2-[(2-imidazol-1-yl-6-methylsulfanylquinazolin-4-yl)amino]ethoxy]ethanol dihydrochloride Traditional Name: 2-[2-[[2-imidazol-1-yl-6-(methylthio)quinazolin-4-yl]amino]ethoxy]ethanol dihydrochloride Formula: C16H21Cl2N5O2S MolecularWeight: 418.34124

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(N=C2NCCOCCO)N3C=CN=C3.Cl.Cl

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(N=C2NCCOCCO)N3C=CN=C3.Cl.Cl

InChI

InChI=1S/C16H19N5O2S.2ClH/c1-24-12-2-3-14-13(10-12)15(18-5-8-23-9-7-22)20-16(19-14)21-6-4-17-11-21;;/h2-4,6,10-11,22H,5,7-9H2,1H3,(H,18,19,20);2*1H