2-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonic acid

Systemtic Name: 2-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonic acid Openeye Name: 2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonic acid CAS Name: 2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonic acid IUPAC Name: 2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonic acid Traditional Name: 2-(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonic acid Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)N3CCC4=C(C3)C=C(C=C4)S(=O)(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)N3CCC4=C(C3)C=C(C=C4)S(=O)(=O)O)OC

InChI

InChI=1S/C19H19N3O6S/c1-27-16-8-14-15(9-17(16)28-2)20-19(21-18(14)23)22-6-5-11-3-4-13(29(24,25)26)7-12(11)10-22/h3-4,7-9H,5-6,10H2,1-2H3,(H,20,21,23)(H,24,25,26)