N-(3-bromophenyl)-6,7-dimethoxy-quinazolin-4-amine; 2-oxidanylethanesulfonic acid

Systemtic Name: N-(3-bromophenyl)-6,7-dimethoxy-quinazolin-4-amine; 2-oxidanylethanesulfonic acid Openeye Name: N-(3-bromophenyl)-6,7-dimethoxy-quinazolin-4-amine; 2-hydroxyethanesulfonic acid CAS Name: N-(3-bromophenyl)-6,7-dimethoxy-4-quinazolinamine; 2-hydroxyethanesulfonic acid IUPAC Name: N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine; 2-hydroxyethanesulfonic acid Traditional Name: (3-bromophenyl)-(6,7-dimethoxyquinazolin-4-yl)amine; 2-hydroxyethanesulfonic acid Formula: C18H20BrN3O6S MolecularWeight: 486.3369

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OC.C(CS(=O)(=O)O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OC.C(CS(=O)(=O)O)O

InChI

InChI=1S/C16H14BrN3O2.C2H6O4S/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11;3-1-2-7(4,5)6/h3-9H,1-2H3,(H,18,19,20);3H,1-2H2,(H,4,5,6)