6,7-dimethoxy-3-(3-morpholin-4-ium-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-3-(3-morpholin-4-ium-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-3-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-3-[3-(4-morpholin-4-iumyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-3-(3-morpholin-4-ium-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-3-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-quinazolin-4-one Formula: C17H24N3O4S+ MolecularWeight: 366.45516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC[NH+]3CCOCC3)OC

InChI

InChI=1S/C17H23N3O4S/c1-22-14-10-12-13(11-15(14)23-2)18-17(25)20(16(12)21)5-3-4-19-6-8-24-9-7-19/h10-11H,3-9H2,1-2H3,(H,18,25)/p+1