6-morpholin-4-yl-3-(2-pyrrolidin-1-ium-1-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-morpholin-4-yl-3-(2-pyrrolidin-1-ium-1-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-morpholino-3-(2-pyrrolidin-1-ium-1-ylethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 6-(4-morpholinyl)-3-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-morpholin-4-yl-3-(2-pyrrolidin-1-ium-1-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-morpholino-3-(2-pyrrolidin-1-ium-1-ylethyl)-2-thioxo-1H-quinazolin-4-one Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S

Isomeric SMILES

C1CC[NH+](C1)CCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S

InChI

InChI=1S/C18H24N4O2S/c23-17-15-13-14(21-9-11-24-12-10-21)3-4-16(15)19-18(25)22(17)8-7-20-5-1-2-6-20/h3-4,13H,1-2,5-12H2,(H,19,25)/p+1