2-[2-[(2-imidazol-1-yl-6-methoxy-quinazolin-4-yl)amino]ethoxy]ethyl methanesulfonate

Systemtic Name: 2-[2-[(2-imidazol-1-yl-6-methoxy-quinazolin-4-yl)amino]ethoxy]ethyl methanesulfonate Openeye Name: 2-[2-[(2-imidazol-1-yl-6-methoxy-quinazolin-4-yl)amino]ethoxy]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-[[2-(1-imidazolyl)-6-methoxy-4-quinazolinyl]amino]ethoxy]ethyl ester IUPAC Name: 2-[2-[(2-imidazol-1-yl-6-methoxyquinazolin-4-yl)amino]ethoxy]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-[(2-imidazol-1-yl-6-methoxy-quinazolin-4-yl)amino]ethoxy]ethyl ester Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N=C2NCCOCCOS(=O)(=O)C)N3C=CN=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N=C2NCCOCCOS(=O)(=O)C)N3C=CN=C3

InChI

InChI=1S/C17H21N5O5S/c1-25-13-3-4-15-14(11-13)16(21-17(20-15)22-7-5-18-12-22)19-6-8-26-9-10-27-28(2,23)24/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,19,20,21)