4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]thiomorpholine

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]thiomorpholine Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]thiomorpholine CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-2-[4-(trifluoromethyl)phenyl]thiomorpholine IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]thiomorpholine Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]thiomorpholine Formula: C21H20F3N3O2S MolecularWeight: 435.46261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCSC(C3)C4=CC=C(C=C4)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCSC(C3)C4=CC=C(C=C4)C(F)(F)F)OC

InChI

InChI=1S/C21H20F3N3O2S/c1-28-17-9-15-16(10-18(17)29-2)25-12-26-20(15)27-7-8-30-19(11-27)13-3-5-14(6-4-13)21(22,23)24/h3-6,9-10,12,19H,7-8,11H2,1-2H3