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

Systemtic Name: 6,7-diethoxy-3-(2-morpholin-4-ium-4-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6,7-diethoxy-3-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 6,7-diethoxy-3-[2-(4-morpholin-4-iumyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6,7-diethoxy-3-(2-morpholin-4-ium-4-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6,7-diethoxy-3-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-1H-quinazolin-4-one Formula: C18H26N3O4S+ MolecularWeight: 380.48174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC[NH+]3CCOCC3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC[NH+]3CCOCC3)OCC

InChI

InChI=1S/C18H25N3O4S/c1-3-24-15-11-13-14(12-16(15)25-4-2)19-18(26)21(17(13)22)6-5-20-7-9-23-10-8-20/h11-12H,3-10H2,1-2H3,(H,19,26)/p+1