N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: (2-chloro-5-morpholinosulfonyl-phenyl)-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amine Formula: C21H20ClF3N4O5S MolecularWeight: 532.92051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl)OC

InChI

InChI=1S/C21H20ClF3N4O5S/c1-32-17-10-13-15(11-18(17)33-2)27-20(21(23,24)25)28-19(13)26-16-9-12(3-4-14(16)22)35(30,31)29-5-7-34-8-6-29/h3-4,9-11H,5-8H2,1-2H3,(H,26,27,28)