1-[(2-fluoranyl-6,7-dimethoxy-quinazolin-4-yl)amino]urea dihydrate hydrochloride

Systemtic Name: 1-[(2-fluoranyl-6,7-dimethoxy-quinazolin-4-yl)amino]urea dihydrate hydrochloride Openeye Name: [(2-fluoro-6,7-dimethoxy-quinazolin-4-yl)amino]urea dihydrate hydrochloride CAS Name: [(2-fluoro-6,7-dimethoxy-4-quinazolinyl)amino]urea dihydrate hydrochloride IUPAC Name: [(2-fluoro-6,7-dimethoxyquinazolin-4-yl)amino]urea dihydrate hydrochloride Traditional Name: [(2-fluoro-6,7-dimethoxy-quinazolin-4-yl)amino]urea dihydrate hydrochloride Formula: C11H17ClFN5O5 MolecularWeight: 353.734583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)F)NNC(=O)N)OC.O.O.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)F)NNC(=O)N)OC.O.O.Cl

InChI

InChI=1S/C11H12FN5O3.ClH.2H2O/c1-19-7-3-5-6(4-8(7)20-2)14-10(12)15-9(5)16-17-11(13)18;;;/h3-4H,1-2H3,(H3,13,17,18)(H,14,15,16);1H;2*1H2