2-[2-chloranyl-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoranyl-phenyl]isoindole-1,3-dione hydrochloride

Systemtic Name: 2-[2-chloranyl-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoranyl-phenyl]isoindole-1,3-dione hydrochloride Openeye Name: 2-[2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-phenyl]isoindoline-1,3-dione hydrochloride CAS Name: 2-[2-chloro-5-[(6,7-dimethoxy-4-quinazolinyl)amino]-4-fluorophenyl]isoindole-1,3-dione hydrochloride IUPAC Name: 2-[2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluorophenyl]isoindole-1,3-dione hydrochloride Traditional Name: 2-[2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-phenyl]isoindoline-1,3-quinone hydrochloride Formula: C24H17Cl2FN4O4 MolecularWeight: 515.320583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C(=C3)N4C(=O)C5=CC=CC=C5C4=O)Cl)F)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C(=C3)N4C(=O)C5=CC=CC=C5C4=O)Cl)F)OC.Cl

InChI

InChI=1S/C24H16ClFN4O4.ClH/c1-33-20-7-14-17(10-21(20)34-2)27-11-28-22(14)29-18-9-19(15(25)8-16(18)26)30-23(31)12-5-3-4-6-13(12)24(30)32;/h3-11H,1-2H3,(H,27,28,29);1H