4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol dihydrate hydrochloride

Systemtic Name: 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol dihydrate hydrochloride Openeye Name: 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol dihydrate hydrochloride CAS Name: 4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenol dihydrate hydrochloride IUPAC Name: 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol dihydrate hydrochloride Traditional Name: 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol dihydrate hydrochloride Formula: C16H20ClN3O5 MolecularWeight: 369.8001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3.ClH.2H2O/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-3-5-11(20)6-4-10;;;/h3-9,20H,1-2H3,(H,17,18,19);1H;2*1H2