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

Systemtic Name: 6,7-dimethoxy-3-(2-morpholin-4-ium-4-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-3-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-3-[2-(4-morpholin-4-iumyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-3-(2-morpholin-4-ium-4-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-3-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-1H-quinazolin-4-one Formula: C16H22N3O4S+ MolecularWeight: 352.42858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-21-13-9-11-12(10-14(13)22-2)17-16(24)19(15(11)20)4-3-18-5-7-23-8-6-18/h9-10H,3-8H2,1-2H3,(H,17,24)/p+1