4-[2-(4-chlorophenyl)-6,7,8-trimethoxy-quinazolin-4-yl]-4-oxidanidyl-thiomorpholin-4-ium

Systemtic Name: 4-[2-(4-chlorophenyl)-6,7,8-trimethoxy-quinazolin-4-yl]-4-oxidanidyl-thiomorpholin-4-ium Openeye Name: 4-[2-(4-chlorophenyl)-6,7,8-trimethoxy-quinazolin-4-yl]-4-oxido-thiomorpholin-4-ium CAS Name: 4-[2-(4-chlorophenyl)-6,7,8-trimethoxy-4-quinazolinyl]-4-oxidothiomorpholin-4-ium IUPAC Name: 4-[2-(4-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-yl]-4-oxidothiomorpholin-4-ium Traditional Name: 4-[2-(4-chlorophenyl)-6,7,8-trimethoxy-quinazolin-4-yl]-4-oxido-thiomorpholin-4-ium Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O4S/c1-27-16-12-15-17(19(29-3)18(16)28-2)23-20(13-4-6-14(22)7-5-13)24-21(15)25(26)8-10-30-11-9-25/h4-7,12H,8-11H2,1-3H3