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

Systemtic Name: 6,7-diethoxy-3-(3-pyrrolidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6,7-diethoxy-3-(3-pyrrolidin-1-ium-1-ylpropyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 6,7-diethoxy-3-[3-(1-pyrrolidin-1-iumyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6,7-diethoxy-3-(3-pyrrolidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6,7-diethoxy-3-(3-pyrrolidin-1-ium-1-ylpropyl)-2-thioxo-1H-quinazolin-4-one Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC[NH+]3CCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC[NH+]3CCCC3)OCC

InChI

InChI=1S/C19H27N3O3S/c1-3-24-16-12-14-15(13-17(16)25-4-2)20-19(26)22(18(14)23)11-7-10-21-8-5-6-9-21/h12-13H,3-11H2,1-2H3,(H,20,26)/p+1