2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]ethanesulfonic acid

Systemtic Name: 2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]ethanesulfonic acid Openeye Name: 2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]ethanesulfonic acid CAS Name: 2-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]ethanesulfonic acid IUPAC Name: 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]ethanesulfonic acid Traditional Name: 2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]ethanesulfonic acid Formula: C12H14ClN3O5S MolecularWeight: 347.77466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NCCS(=O)(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NCCS(=O)(=O)O)OC

InChI

InChI=1S/C12H14ClN3O5S/c1-20-9-5-7-8(6-10(9)21-2)15-12(13)16-11(7)14-3-4-22(17,18)19/h5-6H,3-4H2,1-2H3,(H,14,15,16)(H,17,18,19)