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

Systemtic Name: 4-[6,7-dimethoxy-2-(4-methylphenyl)quinazolin-4-yl]-4-oxidanidyl-thiomorpholin-4-ium Openeye Name: 4-[6,7-dimethoxy-2-(p-tolyl)quinazolin-4-yl]-4-oxido-thiomorpholin-4-ium CAS Name: 4-[6,7-dimethoxy-2-(4-methylphenyl)-4-quinazolinyl]-4-oxidothiomorpholin-4-ium IUPAC Name: 4-[6,7-dimethoxy-2-(4-methylphenyl)quinazolin-4-yl]-4-oxidothiomorpholin-4-ium Traditional Name: 4-[6,7-dimethoxy-2-(p-tolyl)quinazolin-4-yl]-4-oxido-thiomorpholin-4-ium Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC(=C(C=C3C(=N2)[N+]4(CCSCC4)[O-])OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC(=C(C=C3C(=N2)[N+]4(CCSCC4)[O-])OC)OC

InChI

InChI=1S/C21H23N3O3S/c1-14-4-6-15(7-5-14)20-22-17-13-19(27-3)18(26-2)12-16(17)21(23-20)24(25)8-10-28-11-9-24/h4-7,12-13H,8-11H2,1-3H3