4-[2-(4-chlorophenyl)-6,7-dimethoxy-quinazolin-4-yl]-4-oxidanidyl-thiomorpholin-4-ium

Systemtic Name: 4-[2-(4-chlorophenyl)-6,7-dimethoxy-quinazolin-4-yl]-4-oxidanidyl-thiomorpholin-4-ium Openeye Name: 4-[2-(4-chlorophenyl)-6,7-dimethoxy-quinazolin-4-yl]-4-oxido-thiomorpholin-4-ium CAS Name: 4-[2-(4-chlorophenyl)-6,7-dimethoxy-4-quinazolinyl]-4-oxidothiomorpholin-4-ium IUPAC Name: 4-[2-(4-chlorophenyl)-6,7-dimethoxyquinazolin-4-yl]-4-oxidothiomorpholin-4-ium Traditional Name: 4-[2-(4-chlorophenyl)-6,7-dimethoxy-quinazolin-4-yl]-4-oxido-thiomorpholin-4-ium Formula: C20H20ClN3O3S MolecularWeight: 417.9091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Cl)[N+]4(CCSCC4)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Cl)[N+]4(CCSCC4)[O-])OC

InChI

InChI=1S/C20H20ClN3O3S/c1-26-17-11-15-16(12-18(17)27-2)22-19(13-3-5-14(21)6-4-13)23-20(15)24(25)7-9-28-10-8-24/h3-6,11-12H,7-10H2,1-2H3